4-[4-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N,N-diphenylaniline;4-[5-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]thiophen-2-yl]-N,N-diphenylaniline;[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;9-ethyl-3-[4-(4-isocyanophenyl)quinolin-2-yl]carbazole;9-ethyl-3-[4-(4-methoxyphenyl)quinolin-2-yl]carbazole

C196H161BN12OS — CID 158129670

IUPAC4-[4-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N,N-diphenylaniline;4-[5-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]thiophen-2-yl]-N,N-diphenylaniline;[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;9-ethyl-3-[4-(4-isocyanophenyl)quinolin-2-yl]carbazole;9-ethyl-3-[4-(4-methoxyphenyl)quinolin-2-yl]carbazole
SMILESCC(C)(C)c1ccc(-n2c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc3c4ccccc4c4ccccc4c32)cc1.CC(C)(C)c1ccc(-n2c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)nc3c4ccccc4c4ccccc4c32)cc1.CCn1c2ccccc2c2cc(-c3cc(-c4ccc(OC)cc4)c4ccccc4n3)ccc21.CCn1c2ccccc2c2cc(/C=C/c3ccc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)cc3)ccc21.[C-]#[N+]c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4CC)nc3ccccc23)cc1
InChIInChI=1S/C49H39N3.C47H37N3S.C40H40BN.C30H21N3.C30H24N2O/c1-49(2,3)37-28-32-41(33-29-37)52-47-45-21-13-11-19-43(45)42-18-10-12-20-44(42)46(47)50-48(52)36-24-22-34(23-25-36)35-26-30-40(31-27-35)51(38-14-6-4-7-15-38)39-16-8-5-9-17-39;1-47(2,3)33-24-28-37(29-25-33)50-45-41-21-13-11-19-39(41)38-18-10-12-20-40(38)44(45)48-46(50)43-31-30-42(51-43)32-22-26-36(27-23-32)49(34-14-6-4-7-15-34)35-16-8-5-9-17-35;1-8-42-37-12-10-9-11-35(37)36-25-33(17-20-38(36)42)14-13-32-15-18-34(19-16-32)41(39-28(4)21-26(2)22-29(39)5)40-30(6)23-27(3)24-31(40)7;1-3-33-29-11-7-5-9-24(29)26-18-21(14-17-30(26)33)28-19-25(20-12-15-22(31-2)16-13-20)23-8-4-6-10-27(23)32-28;1-3-32-29-11-7-5-9-24(29)26-18-21(14-17-30(26)32)28-19-25(20-12-15-22(33-2)16-13-20)23-8-4-6-10-27(23)31-28/h4-33H,1-3H3;4-31H,1-3H3;9-25H,8H2,1-7H3;4-19H,3H2,1H3;4-19H,3H2,1-2H3/b;;14-13+;;
InChIKeyFSPQWUVVDBQYKB-DQSNIALYSA-N
MW2743.41 g/mol
LogP51.23
Rot. Bonds25

About 4-[4-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N,N-diphenylaniline;4-[5-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]thiophen-2-yl]-N,N-diphenylaniline;[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;9-ethyl-3-[4-(4-isocyanophenyl)quinolin-2-yl]carbazole;9-ethyl-3-[4-(4-methoxyphenyl)quinolin-2-yl]carbazole

4-[4-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N,N-diphenylaniline;4-[5-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]thiophen-2-yl]-N,N-diphenylaniline;[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;9-ethyl-3-[4-(4-isocyanophenyl)quinolin-2-yl]carbazole;9-ethyl-3-[4-(4-methoxyphenyl)quinolin-2-yl]carbazole (PubChem CID 158129670) has the molecular formula C196H161BN12OS and a molecular weight of 2743.41 g/mol. Its IUPAC name is 4-[4-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N,N-diphenylaniline;4-[5-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]thiophen-2-yl]-N,N-diphenylaniline;[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;9-ethyl-3-[4-(4-isocyanophenyl)quinolin-2-yl]carbazole;9-ethyl-3-[4-(4-methoxyphenyl)quinolin-2-yl]carbazole.

Molecular Properties

Compound Name4-[4-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N,N-diphenylaniline;4-[5-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]thiophen-2-yl]-N,N-diphenylaniline;[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;9-ethyl-3-[4-(4-isocyanophenyl)quinolin-2-yl]carbazole;9-ethyl-3-[4-(4-methoxyphenyl)quinolin-2-yl]carbazole
PubChem CID158129670
Molecular FormulaC196H161BN12OS
Molecular Weight2743.41 g/mol
Exact Mass2741.27
IUPAC Name4-[4-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N,N-diphenylaniline;4-[5-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]thiophen-2-yl]-N,N-diphenylaniline;[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;9-ethyl-3-[4-(4-isocyanophenyl)quinolin-2-yl]carbazole;9-ethyl-3-[4-(4-methoxyphenyl)quinolin-2-yl]carbazole
SMILESCC(C)(C)c1ccc(-n2c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc3c4ccccc4c4ccccc4c32)cc1.CC(C)(C)c1ccc(-n2c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)nc3c4ccccc4c4ccccc4c32)cc1.CCn1c2ccccc2c2cc(-c3cc(-c4ccc(OC)cc4)c4ccccc4n3)ccc21.CCn1c2ccccc2c2cc(/C=C/c3ccc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)cc3)ccc21.[C-]#[N+]c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4CC)nc3ccccc23)cc1
InChIInChI=1S/C49H39N3.C47H37N3S.C40H40BN.C30H21N3.C30H24N2O/c1-49(2,3)37-28-32-41(33-29-37)52-47-45-21-13-11-19-43(45)42-18-10-12-20-44(42)46(47)50-48(52)36-24-22-34(23-25-36)35-26-30-40(31-27-35)51(38-14-6-4-7-15-38)39-16-8-5-9-17-39;1-47(2,3)33-24-28-37(29-25-33)50-45-41-21-13-11-19-39(41)38-18-10-12-20-40(38)44(45)48-46(50)43-31-30-42(51-43)32-22-26-36(27-23-32)49(34-14-6-4-7-15-34)35-16-8-5-9-17-35;1-8-42-37-12-10-9-11-35(37)36-25-33(17-20-38(36)42)14-13-32-15-18-34(19-16-32)41(39-28(4)21-26(2)22-29(39)5)40-30(6)23-27(3)24-31(40)7;1-3-33-29-11-7-5-9-24(29)26-18-21(14-17-30(26)33)28-19-25(20-12-15-22(31-2)16-13-20)23-8-4-6-10-27(23)32-28;1-3-32-29-11-7-5-9-24(29)26-18-21(14-17-30(26)32)28-19-25(20-12-15-22(33-2)16-13-20)23-8-4-6-10-27(23)31-28/h4-33H,1-3H3;4-31H,1-3H3;9-25H,8H2,1-7H3;4-19H,3H2,1H3;4-19H,3H2,1-2H3/b;;14-13+;;
InChIKeyFSPQWUVVDBQYKB-DQSNIALYSA-N
XLogP51.23
TPSA96.28 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002743.41
LogP ≤ 551.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[4-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N,N-diphenylaniline;4-[5-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]thiophen-2-yl]-N,N-diphenylaniline;[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;9-ethyl-3-[4-(4-isocyanophenyl)quinolin-2-yl]carbazole;9-ethyl-3-[4-(4-methoxyphenyl)quinolin-2-yl]carbazole with MolForge

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Related Compounds

CID 160557023
CID 160557023
CID 161104264
CID 161104264
Methane;4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methyl-4-pyridinyl)imidazo[1,2-a]pyridine;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyridine;7-(4-phenoxyphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine;7-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
CID 161510294
5,18-Bis(4-methoxyphenyl)-7,16-dimethyl-3,10,13,20-tetrazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2,4,6,8,14,16,18-octaene
CID 139190140
2-[8-[4-[7-(Benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenyl]dibenzofuran-2-yl]-6-[10-(4-dibenzothiophen-4-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
CID 134513509
12-dibenzothiophen-2-yl-3-[3-[15-[12-[(E,4E)-4-(3-methylidene-1-benzofuran-2-ylidene)but-2-en-2-yl]indolo[2,3-a]carbazol-11-yl]-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl]phenyl]-11-(8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indolo[2,3-a]carbazole
CID 146360070
2-(4-Methoxyphenyl)-1-methyl-5-[5-(4-methyl-5-propan-2-ylthiophen-2-yl)hexan-2-yl]-10-propan-2-ylphenanthro[9,10-d]imidazole
CID 156051917
12-(4-Methoxyphenyl)-28-thia-3,14-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene
CID 156501467
19-(4-Methoxyphenyl)-3-thia-17,32-diazaoctacyclo[15.15.0.02,14.04,13.07,12.018,31.021,30.023,28]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,18(31),19,21,23,25,27,29-pentadecaene
CID 156501477
16-(4-Methoxyphenyl)-28-thia-3,14-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18,20,22,24,26-tridecaene
CID 156501514
3-(4-Methoxyphenyl)-12-thia-2,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),3,5(13),6,8,10,14,17,19,21,23,25,27-tridecaene
CID 156501516
10-(4-Methoxyphenyl)-3-thia-17,32-diazaoctacyclo[15.15.0.02,14.04,13.06,11.018,31.021,30.022,27]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,18(31),19,21(30),22,24,26,28-pentadecaene
CID 156501519

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N,N-diphenylaniline;4-[5-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]thiophen-2-yl]-N,N-diphenylaniline;[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;9-ethyl-3-[4-(4-isocyanophenyl)quinolin-2-yl]carbazole;9-ethyl-3-[4-(4-methoxyphenyl)quinolin-2-yl]carbazole?
The IUPAC name of 4-[4-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N,N-diphenylaniline;4-[5-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]thiophen-2-yl]-N,N-diphenylaniline;[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;9-ethyl-3-[4-(4-isocyanophenyl)quinolin-2-yl]carbazole;9-ethyl-3-[4-(4-methoxyphenyl)quinolin-2-yl]carbazole (CID 158129670) is 4-[4-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N,N-diphenylaniline;4-[5-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]thiophen-2-yl]-N,N-diphenylaniline;[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;9-ethyl-3-[4-(4-isocyanophenyl)quinolin-2-yl]carbazole;9-ethyl-3-[4-(4-methoxyphenyl)quinolin-2-yl]carbazole.
What is the SMILES notation for 4-[4-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N,N-diphenylaniline;4-[5-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]thiophen-2-yl]-N,N-diphenylaniline;[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;9-ethyl-3-[4-(4-isocyanophenyl)quinolin-2-yl]carbazole;9-ethyl-3-[4-(4-methoxyphenyl)quinolin-2-yl]carbazole?
The canonical SMILES for 4-[4-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N,N-diphenylaniline;4-[5-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]thiophen-2-yl]-N,N-diphenylaniline;[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;9-ethyl-3-[4-(4-isocyanophenyl)quinolin-2-yl]carbazole;9-ethyl-3-[4-(4-methoxyphenyl)quinolin-2-yl]carbazole is CC(C)(C)c1ccc(-n2c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc3c4ccccc4c4ccccc4c32)cc1.CC(C)(C)c1ccc(-n2c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)nc3c4ccccc4c4ccccc4c32)cc1.CCn1c2ccccc2c2cc(-c3cc(-c4ccc(OC)cc4)c4ccccc4n3)ccc21.CCn1c2ccccc2c2cc(/C=C/c3ccc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)cc3)ccc21.[C-]#[N+]c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4CC)nc3ccccc23)cc1.
What is the InChIKey of 4-[4-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N,N-diphenylaniline;4-[5-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]thiophen-2-yl]-N,N-diphenylaniline;[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;9-ethyl-3-[4-(4-isocyanophenyl)quinolin-2-yl]carbazole;9-ethyl-3-[4-(4-methoxyphenyl)quinolin-2-yl]carbazole?
The InChIKey is FSPQWUVVDBQYKB-DQSNIALYSA-N. The full InChI is InChI=1S/C49H39N3.C47H37N3S.C40H40BN.C30H21N3.C30H24N2O/c1-49(2,3)37-28-32-41(33-29-37)52-47-45-21-13-11-19-43(45)42-18-10-12-20-44(42)46(47)50-48(52)36-24-22-34(23-25-36)35-26-30-40(31-27-35)51(38-14-6-4-7-15-38)39-16-8-5-9-17-39;1-47(2,3)33-24-28-37(29-25-33)50-45-41-21-13-11-19-39(41)38-18-10-12-20-40(38)44(45)48-46(50)43-31-30-42(51-43)32-22-26-36(27-23-32)49(34-14-6-4-7-15-34)35-16-8-5-9-17-35;1-8-42-37-12-10-9-11-35(37)36-25-33(17-20-38(36)42)14-13-32-15-18-34(19-16-32)41(39-28(4)21-26(2)22-29(39)5)40-30(6)23-27(3)24-31(40)7;1-3-33-29-11-7-5-9-24(29)26-18-21(14-17-30(26)33)28-19-25(20-12-15-22(31-2)16-13-20)23-8-4-6-10-27(23)32-28;1-3-32-29-11-7-5-9-24(29)26-18-21(14-17-30(26)32)28-19-25(20-12-15-22(33-2)16-13-20)23-8-4-6-10-27(23)31-28/h4-33H,1-3H3;4-31H,1-3H3;9-25H,8H2,1-7H3;4-19H,3H2,1H3;4-19H,3H2,1-2H3/b;;14-13+;;.
What are the key properties of 4-[4-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N,N-diphenylaniline;4-[5-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]thiophen-2-yl]-N,N-diphenylaniline;[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;9-ethyl-3-[4-(4-isocyanophenyl)quinolin-2-yl]carbazole;9-ethyl-3-[4-(4-methoxyphenyl)quinolin-2-yl]carbazole?
4-[4-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N,N-diphenylaniline;4-[5-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]thiophen-2-yl]-N,N-diphenylaniline;[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;9-ethyl-3-[4-(4-isocyanophenyl)quinolin-2-yl]carbazole;9-ethyl-3-[4-(4-methoxyphenyl)quinolin-2-yl]carbazole has a molecular weight of 2743.41 g/mol, XLogP of 51.23, 25 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N,N-diphenylaniline;4-[5-[3-(4-tert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]thiophen-2-yl]-N,N-diphenylaniline;[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;9-ethyl-3-[4-(4-isocyanophenyl)quinolin-2-yl]carbazole;9-ethyl-3-[4-(4-methoxyphenyl)quinolin-2-yl]carbazole is sourced from PubChem (CID 158129670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).