3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;4-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine

C152H102N6 — CID 158692048

IUPAC3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;4-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)c3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)c3ccccc23)cc1
InChIInChI=1S/2C54H36N2.C44H30N2/c1-2-11-37(12-3-1)39-23-29-45(30-24-39)55(46-31-25-40(26-32-46)44-22-21-38-13-4-5-16-43(38)35-44)47-17-10-18-48(36-47)56-51-33-27-41-14-6-8-19-49(41)53(51)54-50-20-9-7-15-42(50)28-34-52(54)56;1-2-10-37(11-3-1)39-20-26-45(27-21-39)55(46-28-22-40(23-29-46)44-19-18-38-12-4-5-15-43(38)36-44)47-30-32-48(33-31-47)56-51-34-24-41-13-6-8-16-49(41)53(51)54-50-17-9-7-14-42(50)25-35-52(54)56;1-2-14-35(15-3-1)45(36-26-24-32(25-27-36)34-23-22-31-12-4-5-13-33(31)30-34)43-28-29-44(40-17-7-6-16-39(40)43)46-41-20-10-8-18-37(41)38-19-9-11-21-42(38)46/h2*1-36H;1-30H
InChIKeyIGLZCOBHQKUJIR-UHFFFAOYSA-N
MW2012.53 g/mol
LogP42.32
Rot. Bonds17

About 3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;4-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine

3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;4-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine (PubChem CID 158692048) has the molecular formula C152H102N6 and a molecular weight of 2012.53 g/mol. Its IUPAC name is 3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;4-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;4-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine
PubChem CID158692048
Molecular FormulaC152H102N6
Molecular Weight2012.53 g/mol
Exact Mass2010.82
IUPAC Name3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;4-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)c3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)c3ccccc23)cc1
InChIInChI=1S/2C54H36N2.C44H30N2/c1-2-11-37(12-3-1)39-23-29-45(30-24-39)55(46-31-25-40(26-32-46)44-22-21-38-13-4-5-16-43(38)35-44)47-17-10-18-48(36-47)56-51-33-27-41-14-6-8-19-49(41)53(51)54-50-20-9-7-15-42(50)28-34-52(54)56;1-2-10-37(11-3-1)39-20-26-45(27-21-39)55(46-28-22-40(23-29-46)44-19-18-38-12-4-5-15-43(38)36-44)47-30-32-48(33-31-47)56-51-34-24-41-13-6-8-16-49(41)53(51)54-50-17-9-7-14-42(50)25-35-52(54)56;1-2-14-35(15-3-1)45(36-26-24-32(25-27-36)34-23-22-31-12-4-5-13-33(31)30-34)43-28-29-44(40-17-7-6-16-39(40)43)46-41-20-10-8-18-37(41)38-19-9-11-21-42(38)46/h2*1-36H;1-30H
InChIKeyIGLZCOBHQKUJIR-UHFFFAOYSA-N
XLogP42.32
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002012.53
LogP ≤ 542.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;4-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine with MolForge

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)aniline
CID 139500549
N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 138468062
3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578515
3-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146577954
3,6-bis(4-carbazol-9-ylphenyl)-9-naphthalen-2-ylcarbazole;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;4-[9-naphthalen-2-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;N-[4-[9-naphthalen-2-yl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 158432139
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 167038041
N-(3-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline
CID 166566072
N-(3-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenylaniline
CID 166566208
N-[4-(7-benzo[c]carbazol-7-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 170363151
N-(4-benzo[c]carbazol-7-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-benzo[c]carbazol-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylbenzo[c]carbazol-7-yl)phenyl]aniline
CID 159709089
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
4-benzo[c]carbazol-7-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 167038157

Frequently Asked Questions

What is the IUPAC name of 3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;4-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine?
The IUPAC name of 3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;4-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine (CID 158692048) is 3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;4-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine.
What is the SMILES notation for 3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;4-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine?
The canonical SMILES for 3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;4-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)c3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)c3ccccc23)cc1.
What is the InChIKey of 3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;4-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine?
The InChIKey is IGLZCOBHQKUJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H36N2.C44H30N2/c1-2-11-37(12-3-1)39-23-29-45(30-24-39)55(46-31-25-40(26-32-46)44-22-21-38-13-4-5-16-43(38)35-44)47-17-10-18-48(36-47)56-51-33-27-41-14-6-8-19-49(41)53(51)54-50-20-9-7-15-42(50)28-34-52(54)56;1-2-10-37(11-3-1)39-20-26-45(27-21-39)55(46-28-22-40(23-29-46)44-19-18-38-12-4-5-15-43(38)36-44)47-30-32-48(33-31-47)56-51-34-24-41-13-6-8-16-49(41)53(51)54-50-17-9-7-14-42(50)25-35-52(54)56;1-2-14-35(15-3-1)45(36-26-24-32(25-27-36)34-23-22-31-12-4-5-13-33(31)30-34)43-28-29-44(40-17-7-6-16-39(40)43)46-41-20-10-8-18-37(41)38-19-9-11-21-42(38)46/h2*1-36H;1-30H.
What are the key properties of 3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;4-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine?
3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;4-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine has a molecular weight of 2012.53 g/mol, XLogP of 42.32, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;4-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 158692048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).