4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline

C56H35N — CID 134944054

IUPAC4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(C34c5ccccc5-c5cccc(c53)-c3ccccc34)cc2)c2ccc(C34c5ccccc5-c5cccc(c53)-c3ccccc34)cc2)cc1
InChIInChI=1S/C56H35N/c1-2-14-38(15-3-1)57(39-32-28-36(29-33-39)55-49-24-8-4-16-41(49)45-20-12-21-46(53(45)55)42-17-5-9-25-50(42)55)40-34-30-37(31-35-40)56-51-26-10-6-18-43(51)47-22-13-23-48(54(47)56)44-19-7-11-27-52(44)56/h1-35H
InChIKeyCPWDIFORMWZFJC-UHFFFAOYSA-N
MW721.90 g/mol
LogP13.84
Rot. Bonds5

About 4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline

4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline (PubChem CID 134944054) has the molecular formula C56H35N and a molecular weight of 721.90 g/mol. Its IUPAC name is 4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline
PubChem CID134944054
Molecular FormulaC56H35N
Molecular Weight721.90 g/mol
Exact Mass721.28
IUPAC Name4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(C34c5ccccc5-c5cccc(c53)-c3ccccc34)cc2)c2ccc(C34c5ccccc5-c5cccc(c53)-c3ccccc34)cc2)cc1
InChIInChI=1S/C56H35N/c1-2-14-38(15-3-1)57(39-32-28-36(29-33-39)55-49-24-8-4-16-41(49)45-20-12-21-46(53(45)55)42-17-5-9-25-50(42)55)40-34-30-37(31-35-40)56-51-26-10-6-18-43(51)47-22-13-23-48(54(47)56)44-19-7-11-27-52(44)56/h1-35H
InChIKeyCPWDIFORMWZFJC-UHFFFAOYSA-N
XLogP13.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.90
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline with MolForge

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Related Compounds

N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline
CID 130380030
3-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 118049427
4-N-[9-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylspiro[anthracene-10,9'-fluorene]-3'-yl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667092
9,9-diphenyl-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-3-amine
CID 121464369
1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 138519596
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;1'-phenyl-9,9'-spirobi[fluorene]
CID 160786762
N,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738
4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 59601247
N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
CID 166679205
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808

Frequently Asked Questions

What is the IUPAC name of 4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline?
The IUPAC name of 4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline (CID 134944054) is 4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline.
What is the SMILES notation for 4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline?
The canonical SMILES for 4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline is c1ccc(N(c2ccc(C34c5ccccc5-c5cccc(c53)-c3ccccc34)cc2)c2ccc(C34c5ccccc5-c5cccc(c53)-c3ccccc34)cc2)cc1.
What is the InChIKey of 4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline?
The InChIKey is CPWDIFORMWZFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N/c1-2-14-38(15-3-1)57(39-32-28-36(29-33-39)55-49-24-8-4-16-41(49)45-20-12-21-46(53(45)55)42-17-5-9-25-50(42)55)40-34-30-37(31-35-40)56-51-26-10-6-18-43(51)47-22-13-23-48(54(47)56)44-19-7-11-27-52(44)56/h1-35H.
What are the key properties of 4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline?
4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline has a molecular weight of 721.90 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline is sourced from PubChem (CID 134944054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).