4-tert-butyl-N-(4-carbazol-9-ylphenyl)-N-[4-(12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)phenyl]aniline

C56H42N4 — CID 66585153

IUPAC4-tert-butyl-N-(4-carbazol-9-ylphenyl)-N-[4-(12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccc5ccccc5c4c4ccc5c6ccccc6[nH]c5c43)cc2)cc1
InChIInChI=1S/C56H42N4/c1-56(2,3)37-21-23-38(24-22-37)58(39-25-29-41(30-26-39)59-50-18-10-7-15-45(50)46-16-8-11-19-51(46)59)40-27-31-42(32-28-40)60-52-35-20-36-12-4-5-13-43(36)53(52)48-34-33-47-44-14-6-9-17-49(44)57-54(47)55(48)60/h4-35,57H,1-3H3
InChIKeyXNLGGGBYZJBFHB-UHFFFAOYSA-N
MW770.98 g/mol
LogP15.44
Rot. Bonds5

About 4-tert-butyl-N-(4-carbazol-9-ylphenyl)-N-[4-(12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)phenyl]aniline

4-tert-butyl-N-(4-carbazol-9-ylphenyl)-N-[4-(12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)phenyl]aniline (PubChem CID 66585153) has the molecular formula C56H42N4 and a molecular weight of 770.98 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-carbazol-9-ylphenyl)-N-[4-(12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)phenyl]aniline.

Molecular Properties

Compound Name4-tert-butyl-N-(4-carbazol-9-ylphenyl)-N-[4-(12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)phenyl]aniline
PubChem CID66585153
Molecular FormulaC56H42N4
Molecular Weight770.98 g/mol
Exact Mass770.34
IUPAC Name4-tert-butyl-N-(4-carbazol-9-ylphenyl)-N-[4-(12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccc5ccccc5c4c4ccc5c6ccccc6[nH]c5c43)cc2)cc1
InChIInChI=1S/C56H42N4/c1-56(2,3)37-21-23-38(24-22-37)58(39-25-29-41(30-26-39)59-50-18-10-7-15-45(50)46-16-8-11-19-51(46)59)40-27-31-42(32-28-40)60-52-35-20-36-12-4-5-13-43(36)53(52)48-34-33-47-44-14-6-9-17-49(44)57-54(47)55(48)60/h4-35,57H,1-3H3
InChIKeyXNLGGGBYZJBFHB-UHFFFAOYSA-N
XLogP15.44
TPSA28.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.98
LogP ≤ 515.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-(4-carbazol-9-ylphenyl)-N-[4-(12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)phenyl]aniline with MolForge

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Related Compounds

4-tert-butyl-N-[4-[12-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]-N-(4-tert-butylphenyl)aniline
CID 88541137
4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline
CID 59103397
18-(4-tert-butylphenyl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 134184183
N-[4-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline;N-(4-benzo[a]carbazol-11-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline;N-(4-benzo[b]carbazol-5-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 159727849
5-[3,5-bis(4-tert-butylphenyl)phenyl]-12H-indolo[3,2-c]carbazole
CID 175982941
N-(4-tert-butylphenyl)-4-[9-(4-tert-butylphenyl)carbazol-3-yl]-N-phenylaniline
CID 143859069
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371
15-(4-tert-butylphenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965488
12-phenyl-15-(9-phenylcarbazol-3-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 122465510
12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole
CID 170424202
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
12-(4-bromophenyl)-11H-indolo[2,3-a]carbazole
CID 135315039

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-carbazol-9-ylphenyl)-N-[4-(12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)phenyl]aniline?
The IUPAC name of 4-tert-butyl-N-(4-carbazol-9-ylphenyl)-N-[4-(12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)phenyl]aniline (CID 66585153) is 4-tert-butyl-N-(4-carbazol-9-ylphenyl)-N-[4-(12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)phenyl]aniline.
What is the SMILES notation for 4-tert-butyl-N-(4-carbazol-9-ylphenyl)-N-[4-(12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)phenyl]aniline?
The canonical SMILES for 4-tert-butyl-N-(4-carbazol-9-ylphenyl)-N-[4-(12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)phenyl]aniline is CC(C)(C)c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccc5ccccc5c4c4ccc5c6ccccc6[nH]c5c43)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-carbazol-9-ylphenyl)-N-[4-(12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)phenyl]aniline?
The InChIKey is XNLGGGBYZJBFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N4/c1-56(2,3)37-21-23-38(24-22-37)58(39-25-29-41(30-26-39)59-50-18-10-7-15-45(50)46-16-8-11-19-51(46)59)40-27-31-42(32-28-40)60-52-35-20-36-12-4-5-13-43(36)53(52)48-34-33-47-44-14-6-9-17-49(44)57-54(47)55(48)60/h4-35,57H,1-3H3.
What are the key properties of 4-tert-butyl-N-(4-carbazol-9-ylphenyl)-N-[4-(12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)phenyl]aniline?
4-tert-butyl-N-(4-carbazol-9-ylphenyl)-N-[4-(12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)phenyl]aniline has a molecular weight of 770.98 g/mol, XLogP of 15.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-carbazol-9-ylphenyl)-N-[4-(12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)phenyl]aniline is sourced from PubChem (CID 66585153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).