N,N-diphenyl-4-[3-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-12-yl]phenyl]aniline

C62H41N3 — CID 129133935

IUPACN,N-diphenyl-4-[3-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-12-yl]phenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cccc(N4c5ccc6ccccc6c5-c5cccc6c(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc4c56)c3)cc2)cc1
InChIInChI=1S/C62H41N3/c1-4-18-46(19-5-1)63(47-20-6-2-7-21-47)49-34-30-42(31-35-49)44-17-14-24-50(40-44)65-58-38-33-43-16-10-11-25-52(43)61(58)56-28-15-27-55-51(37-39-59(65)62(55)56)45-32-36-54-53-26-12-13-29-57(53)64(60(54)41-45)48-22-8-3-9-23-48/h1-41H
InChIKeyLRYOMBJNMXGLCE-UHFFFAOYSA-N
MW828.03 g/mol
LogP17.34
Rot. Bonds7

About N,N-diphenyl-4-[3-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-12-yl]phenyl]aniline

N,N-diphenyl-4-[3-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-12-yl]phenyl]aniline (PubChem CID 129133935) has the molecular formula C62H41N3 and a molecular weight of 828.03 g/mol. Its IUPAC name is N,N-diphenyl-4-[3-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-12-yl]phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[3-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-12-yl]phenyl]aniline
PubChem CID129133935
Molecular FormulaC62H41N3
Molecular Weight828.03 g/mol
Exact Mass827.33
IUPAC NameN,N-diphenyl-4-[3-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-12-yl]phenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cccc(N4c5ccc6ccccc6c5-c5cccc6c(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc4c56)c3)cc2)cc1
InChIInChI=1S/C62H41N3/c1-4-18-46(19-5-1)63(47-20-6-2-7-21-47)49-34-30-42(31-35-49)44-17-14-24-50(40-44)65-58-38-33-43-16-10-11-25-52(43)61(58)56-28-15-27-55-51(37-39-59(65)62(55)56)45-32-36-54-53-26-12-13-29-57(53)64(60(54)41-45)48-22-8-3-9-23-48/h1-41H
InChIKeyLRYOMBJNMXGLCE-UHFFFAOYSA-N
XLogP17.34
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.03
LogP ≤ 517.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diphenyl-4-[3-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-12-yl]phenyl]aniline with MolForge

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Related Compounds

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118901515
N,N-diphenyl-4-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-12-yl]aniline
CID 129133998
4-[3-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118901543
7-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N,9-diphenylcarbazol-2-amine
CID 146573851
N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 161173154
N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline
CID 167003908
3-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 163482602
N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline
CID 146580365
3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 126628031
4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578387
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 157492697
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[3-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-12-yl]phenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[3-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-12-yl]phenyl]aniline (CID 129133935) is N,N-diphenyl-4-[3-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-12-yl]phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[3-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-12-yl]phenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[3-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-12-yl]phenyl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3cccc(N4c5ccc6ccccc6c5-c5cccc6c(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc4c56)c3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[3-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-12-yl]phenyl]aniline?
The InChIKey is LRYOMBJNMXGLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N3/c1-4-18-46(19-5-1)63(47-20-6-2-7-21-47)49-34-30-42(31-35-49)44-17-14-24-50(40-44)65-58-38-33-43-16-10-11-25-52(43)61(58)56-28-15-27-55-51(37-39-59(65)62(55)56)45-32-36-54-53-26-12-13-29-57(53)64(60(54)41-45)48-22-8-3-9-23-48/h1-41H.
What are the key properties of N,N-diphenyl-4-[3-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-12-yl]phenyl]aniline?
N,N-diphenyl-4-[3-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-12-yl]phenyl]aniline has a molecular weight of 828.03 g/mol, XLogP of 17.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[3-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-12-yl]phenyl]aniline is sourced from PubChem (CID 129133935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).