9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine

C73H52N2 — CID 118462727

IUPAC9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine
SMILESC1=CCC(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)cc32)C=C1
InChIInChI=1S/C73H52N2/c1-6-23-51(24-7-1)56-46-57(52-25-8-2-9-26-52)48-62(47-56)75-71-40-21-18-37-66(71)67-49-54(41-44-72(67)75)53-27-22-28-55(45-53)63-35-17-20-39-70(63)74(60-33-14-5-15-34-60)61-42-43-65-64-36-16-19-38-68(64)73(69(65)50-61,58-29-10-3-11-30-58)59-31-12-4-13-32-59/h1-31,33-50,59H,32H2
InChIKeyJVMPCQQRXRCSPC-UHFFFAOYSA-N
MW957.23 g/mol
LogP19.37
Rot. Bonds10

About 9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine

9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine (PubChem CID 118462727) has the molecular formula C73H52N2 and a molecular weight of 957.23 g/mol. Its IUPAC name is 9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine.

Molecular Properties

Compound Name9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine
PubChem CID118462727
Molecular FormulaC73H52N2
Molecular Weight957.23 g/mol
Exact Mass956.41
IUPAC Name9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine
SMILESC1=CCC(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)cc32)C=C1
InChIInChI=1S/C73H52N2/c1-6-23-51(24-7-1)56-46-57(52-25-8-2-9-26-52)48-62(47-56)75-71-40-21-18-37-66(71)67-49-54(41-44-72(67)75)53-27-22-28-55(45-53)63-35-17-20-39-70(63)74(60-33-14-5-15-34-60)61-42-43-65-64-36-16-19-38-68(64)73(69(65)50-61,58-29-10-3-11-30-58)59-31-12-4-13-32-59/h1-31,33-50,59H,32H2
InChIKeyJVMPCQQRXRCSPC-UHFFFAOYSA-N
XLogP19.37
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.23
LogP ≤ 519.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118087630
N,9,9-triphenyl-N-[2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 118462520
N-[2-[9-[3-naphthalen-2-yl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118087622
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline
CID 90215101
N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]aniline;N-[2-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine;2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[2-[3-[6-phenyl-9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine
CID 157435887
N,9,9-triphenyl-N-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 118640942
2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118087664
N-[4-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 156558180
N-[2-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 118087782
N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 163427849
9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine
CID 118505806

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine?
The IUPAC name of 9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine (CID 118462727) is 9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine.
What is the SMILES notation for 9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine?
The canonical SMILES for 9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine is C1=CCC(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)cc32)C=C1.
What is the InChIKey of 9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine?
The InChIKey is JVMPCQQRXRCSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H52N2/c1-6-23-51(24-7-1)56-46-57(52-25-8-2-9-26-52)48-62(47-56)75-71-40-21-18-37-66(71)67-49-54(41-44-72(67)75)53-27-22-28-55(45-53)63-35-17-20-39-70(63)74(60-33-14-5-15-34-60)61-42-43-65-64-36-16-19-38-68(64)73(69(65)50-61,58-29-10-3-11-30-58)59-31-12-4-13-32-59/h1-31,33-50,59H,32H2.
What are the key properties of 9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine?
9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine has a molecular weight of 957.23 g/mol, XLogP of 19.37, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine is sourced from PubChem (CID 118462727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).