N-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,13(17),14-heptaen-5-yl)phenyl]carbazol-3-amine

C64H47N3 — CID 129092365

IUPACN-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,13(17),14-heptaen-5-yl)phenyl]carbazol-3-amine
SMILESC1=CC(c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5c(c4)N(c4ccccc4)C4=CCCc6cccc-5c64)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)=CCC1
InChIInChI=1S/C64H47N3/c1-5-17-44(18-6-1)49-39-50(45-19-7-2-8-20-45)41-55(40-49)65(54-36-38-61-59(43-54)56-27-13-14-29-60(56)66(61)51-23-9-3-10-24-51)53-34-31-46(32-35-53)48-33-37-57-58-28-15-21-47-22-16-30-62(64(47)58)67(63(57)42-48)52-25-11-4-12-26-52/h1,3-7,9-15,17-21,23-43H,2,8,16,22H2
InChIKeyJJAHFEBDHWWIKO-UHFFFAOYSA-N
MW858.10 g/mol
LogP17.43
Rot. Bonds8

About N-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,13(17),14-heptaen-5-yl)phenyl]carbazol-3-amine

N-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,13(17),14-heptaen-5-yl)phenyl]carbazol-3-amine (PubChem CID 129092365) has the molecular formula C64H47N3 and a molecular weight of 858.10 g/mol. Its IUPAC name is N-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,13(17),14-heptaen-5-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,13(17),14-heptaen-5-yl)phenyl]carbazol-3-amine
PubChem CID129092365
Molecular FormulaC64H47N3
Molecular Weight858.10 g/mol
Exact Mass857.38
IUPAC NameN-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,13(17),14-heptaen-5-yl)phenyl]carbazol-3-amine
SMILESC1=CC(c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5c(c4)N(c4ccccc4)C4=CCCc6cccc-5c64)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)=CCC1
InChIInChI=1S/C64H47N3/c1-5-17-44(18-6-1)49-39-50(45-19-7-2-8-20-45)41-55(40-49)65(54-36-38-61-59(43-54)56-27-13-14-29-60(56)66(61)51-23-9-3-10-24-51)53-34-31-46(32-35-53)48-33-37-57-58-28-15-21-47-22-16-30-62(64(47)58)67(63(57)42-48)52-25-11-4-12-26-52/h1,3-7,9-15,17-21,23-43H,2,8,16,22H2
InChIKeyJJAHFEBDHWWIKO-UHFFFAOYSA-N
XLogP17.43
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.10
LogP ≤ 517.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,13(17),14-heptaen-5-yl)phenyl]carbazol-3-amine with MolForge

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Related Compounds

N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166958703
N-[4-[4-[2-(2-cyclohexa-1,5-dien-1-yl-6-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166876411
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
CID 118289059
N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]anilino)phenyl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 170005906
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 170041721
N-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 170299190
6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 163787508
N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103160
1-N-(5,6-dihydronaphthalen-2-yl)-3-N-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 88873467
N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 148828998

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,13(17),14-heptaen-5-yl)phenyl]carbazol-3-amine?
The IUPAC name of N-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,13(17),14-heptaen-5-yl)phenyl]carbazol-3-amine (CID 129092365) is N-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,13(17),14-heptaen-5-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for N-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,13(17),14-heptaen-5-yl)phenyl]carbazol-3-amine?
The canonical SMILES for N-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,13(17),14-heptaen-5-yl)phenyl]carbazol-3-amine is C1=CC(c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5c(c4)N(c4ccccc4)C4=CCCc6cccc-5c64)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)=CCC1.
What is the InChIKey of N-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,13(17),14-heptaen-5-yl)phenyl]carbazol-3-amine?
The InChIKey is JJAHFEBDHWWIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N3/c1-5-17-44(18-6-1)49-39-50(45-19-7-2-8-20-45)41-55(40-49)65(54-36-38-61-59(43-54)56-27-13-14-29-60(56)66(61)51-23-9-3-10-24-51)53-34-31-46(32-35-53)48-33-37-57-58-28-15-21-47-22-16-30-62(64(47)58)67(63(57)42-48)52-25-11-4-12-26-52/h1,3-7,9-15,17-21,23-43H,2,8,16,22H2.
What are the key properties of N-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,13(17),14-heptaen-5-yl)phenyl]carbazol-3-amine?
N-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,13(17),14-heptaen-5-yl)phenyl]carbazol-3-amine has a molecular weight of 858.10 g/mol, XLogP of 17.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,13(17),14-heptaen-5-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 129092365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).