N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N,4-bis(4-carbazol-9-ylphenyl)aniline

C66H42N4 — CID 118180068

IUPACN-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N,4-bis(4-carbazol-9-ylphenyl)aniline
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6cccc7c8ccccc8n(c5c4)c76)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C66H42N4/c1-6-19-60-52(12-1)53-13-2-7-20-61(53)68(60)50-35-26-44(27-36-50)43-24-31-47(32-25-43)67(49-37-39-51(40-38-49)69-62-21-8-3-14-54(62)55-15-4-9-22-63(55)69)48-33-28-45(29-34-48)46-30-41-57-59-18-11-17-58-56-16-5-10-23-64(56)70(66(58)59)65(57)42-46/h1-42H
InChIKeyHHFBQHZRQQIBKL-UHFFFAOYSA-N
MW891.09 g/mol
LogP17.83
Rot. Bonds7

About N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N,4-bis(4-carbazol-9-ylphenyl)aniline

N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N,4-bis(4-carbazol-9-ylphenyl)aniline (PubChem CID 118180068) has the molecular formula C66H42N4 and a molecular weight of 891.09 g/mol. Its IUPAC name is N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N,4-bis(4-carbazol-9-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N,4-bis(4-carbazol-9-ylphenyl)aniline
PubChem CID118180068
Molecular FormulaC66H42N4
Molecular Weight891.09 g/mol
Exact Mass890.34
IUPAC NameN-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N,4-bis(4-carbazol-9-ylphenyl)aniline
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6cccc7c8ccccc8n(c5c4)c76)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C66H42N4/c1-6-19-60-52(12-1)53-13-2-7-20-61(53)68(60)50-35-26-44(27-36-50)43-24-31-47(32-25-43)67(49-37-39-51(40-38-49)69-62-21-8-3-14-54(62)55-15-4-9-22-63(55)69)48-33-28-45(29-34-48)46-30-41-57-59-18-11-17-58-56-16-5-10-23-64(56)70(66(58)59)65(57)42-46/h1-42H
InChIKeyHHFBQHZRQQIBKL-UHFFFAOYSA-N
XLogP17.83
TPSA17.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.09
LogP ≤ 517.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N,4-bis(4-carbazol-9-ylphenyl)aniline with MolForge

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Related Compounds

N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-4-phenylaniline
CID 118180054
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]dibenzofuran-3-amine
CID 118180067
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179751
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 71038441
N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 89213116
N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
CID 118963227
N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 71038437
N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-(3-phenylcarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
CID 163611980
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 67472360
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467443

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N,4-bis(4-carbazol-9-ylphenyl)aniline?
The IUPAC name of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N,4-bis(4-carbazol-9-ylphenyl)aniline (CID 118180068) is N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N,4-bis(4-carbazol-9-ylphenyl)aniline.
What is the SMILES notation for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N,4-bis(4-carbazol-9-ylphenyl)aniline?
The canonical SMILES for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N,4-bis(4-carbazol-9-ylphenyl)aniline is c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6cccc7c8ccccc8n(c5c4)c76)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N,4-bis(4-carbazol-9-ylphenyl)aniline?
The InChIKey is HHFBQHZRQQIBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N4/c1-6-19-60-52(12-1)53-13-2-7-20-61(53)68(60)50-35-26-44(27-36-50)43-24-31-47(32-25-43)67(49-37-39-51(40-38-49)69-62-21-8-3-14-54(62)55-15-4-9-22-63(55)69)48-33-28-45(29-34-48)46-30-41-57-59-18-11-17-58-56-16-5-10-23-64(56)70(66(58)59)65(57)42-46/h1-42H.
What are the key properties of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N,4-bis(4-carbazol-9-ylphenyl)aniline?
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N,4-bis(4-carbazol-9-ylphenyl)aniline has a molecular weight of 891.09 g/mol, XLogP of 17.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N,4-bis(4-carbazol-9-ylphenyl)aniline is sourced from PubChem (CID 118180068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).