N-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine

C52H32N2O2 — CID 162697693

IUPACN-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)oc3ccc5c(ccc6oc7ccccc7c65)c34)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C52H32N2O2/c1-3-11-35(12-4-1)53(38-24-28-46-44(32-38)39-15-7-9-17-45(39)54(46)36-13-5-2-6-14-36)37-22-19-33(20-23-37)34-21-25-43-50(31-34)56-49-30-27-40-41(52(43)49)26-29-48-51(40)42-16-8-10-18-47(42)55-48/h1-32H
InChIKeyOLVFBUFZIJQUEV-UHFFFAOYSA-N
MW716.84 g/mol
LogP14.87
Rot. Bonds5

About N-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine

N-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine (PubChem CID 162697693) has the molecular formula C52H32N2O2 and a molecular weight of 716.84 g/mol. Its IUPAC name is N-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine
PubChem CID162697693
Molecular FormulaC52H32N2O2
Molecular Weight716.84 g/mol
Exact Mass716.25
IUPAC NameN-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)oc3ccc5c(ccc6oc7ccccc7c65)c34)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C52H32N2O2/c1-3-11-35(12-4-1)53(38-24-28-46-44(32-38)39-15-7-9-17-45(39)54(46)36-13-5-2-6-14-36)37-22-19-33(20-23-37)34-21-25-43-50(31-34)56-49-30-27-40-41(52(43)49)26-29-48-51(40)42-16-8-10-18-47(42)55-48/h1-32H
InChIKeyOLVFBUFZIJQUEV-UHFFFAOYSA-N
XLogP14.87
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine with MolForge

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Related Compounds

4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-N,N-diphenylaniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine
CID 159949302
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 170033937
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine
CID 129085164
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 90376825
N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 118289224
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576
7-N,19-N-di(dibenzofuran-2-yl)-19-N-[7-[4-[3-(N-[4-(10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaen-7-yl)phenyl]anilino)carbazol-9-yl]phenyl]-9-phenylcarbazol-2-yl]-7-N-(9-phenylcarbazol-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 166829778
1-N-phenyl-3-N-[7-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 149038189

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine (CID 162697693) is N-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine is c1ccc(N(c2ccc(-c3ccc4c(c3)oc3ccc5c(ccc6oc7ccccc7c65)c34)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The InChIKey is OLVFBUFZIJQUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O2/c1-3-11-35(12-4-1)53(38-24-28-46-44(32-38)39-15-7-9-17-45(39)54(46)36-13-5-2-6-14-36)37-22-19-33(20-23-37)34-21-25-43-50(31-34)56-49-30-27-40-41(52(43)49)26-29-48-51(40)42-16-8-10-18-47(42)55-48/h1-32H.
What are the key properties of N-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
N-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 716.84 g/mol, XLogP of 14.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 162697693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).