4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine

C70H55N3 — CID 87174608

IUPAC4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CCCC=C3)c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)c3)cc21
InChIInChI=1S/C70H55N3/c1-69(2)61-30-16-13-27-54(61)56-38-35-51(44-63(56)69)71(48-22-7-5-8-23-48)50-37-41-67(72(49-24-9-6-10-25-49)52-36-39-57-55-28-14-17-31-62(55)70(3,4)64(57)45-52)59(43-50)47-34-40-68-60(42-47)58-29-15-18-32-66(58)73(68)65-33-19-21-46-20-11-12-26-53(46)65/h6-7,9-45H,5,8H2,1-4H3
InChIKeyWSNPONWXQCJCPZ-UHFFFAOYSA-N
MW938.23 g/mol
LogP19.06
Rot. Bonds8

About 4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine

4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine (PubChem CID 87174608) has the molecular formula C70H55N3 and a molecular weight of 938.23 g/mol. Its IUPAC name is 4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine
PubChem CID87174608
Molecular FormulaC70H55N3
Molecular Weight938.23 g/mol
Exact Mass937.44
IUPAC Name4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CCCC=C3)c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)c3)cc21
InChIInChI=1S/C70H55N3/c1-69(2)61-30-16-13-27-54(61)56-38-35-51(44-63(56)69)71(48-22-7-5-8-23-48)50-37-41-67(72(49-24-9-6-10-25-49)52-36-39-57-55-28-14-17-31-62(55)70(3,4)64(57)45-52)59(43-50)47-34-40-68-60(42-47)58-29-15-18-32-66(58)73(68)65-33-19-21-46-20-11-12-26-53(46)65/h6-7,9-45H,5,8H2,1-4H3
InChIKeyWSNPONWXQCJCPZ-UHFFFAOYSA-N
XLogP19.06
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.23
LogP ≤ 519.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine with MolForge

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Related Compounds

4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine
CID 59171720
9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90393624
9,9-dimethyl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90393540
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-methylphenyl)-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-amine
CID 59171796
4-N-cyclohexa-1,5-dien-1-yl-4-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine
CID 66837995
9,9-dimethyl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine;9,9-dimethyl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 157191208
9,9-dimethyl-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 144990424
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylfluoren-1-amine
CID 122462647
N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
CID 118103122
N-cyclohexa-1,5-dien-1-yl-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 170320114
9,9-dimethyl-N-[4-[4-[2-(2-naphthalen-1-yl-6-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155038409
N-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 118103040

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine (CID 87174608) is 4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine is CC1(C)c2ccccc2-c2ccc(N(C3=CCCC=C3)c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)c3)cc21.
What is the InChIKey of 4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine?
The InChIKey is WSNPONWXQCJCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H55N3/c1-69(2)61-30-16-13-27-54(61)56-38-35-51(44-63(56)69)71(48-22-7-5-8-23-48)50-37-41-67(72(49-24-9-6-10-25-49)52-36-39-57-55-28-14-17-31-62(55)70(3,4)64(57)45-52)59(43-50)47-34-40-68-60(42-47)58-29-15-18-32-66(58)73(68)65-33-19-21-46-20-11-12-26-53(46)65/h6-7,9-45H,5,8H2,1-4H3.
What are the key properties of 4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine?
4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine has a molecular weight of 938.23 g/mol, XLogP of 19.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 87174608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).