4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine

C67H45N3 — CID 164838007

IUPAC4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3c(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)cc1
InChIInChI=1S/C67H45N3/c1-5-23-46(24-6-1)51-31-15-19-39-60(51)69(48-27-9-3-10-28-48)63-42-22-38-59-66(63)55-34-14-18-36-57(55)67(59)56-35-17-13-33-54(56)65-58(67)37-21-41-62(65)68(47-25-7-2-8-26-47)50-43-44-53-52-32-16-20-40-61(52)70(64(53)45-50)49-29-11-4-12-30-49/h1-45H
InChIKeyMOGCTJDGKHOIDL-UHFFFAOYSA-N
MW892.12 g/mol
LogP17.73
Rot. Bonds8

About 4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine

4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine (PubChem CID 164838007) has the molecular formula C67H45N3 and a molecular weight of 892.12 g/mol. Its IUPAC name is 4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine.

Molecular Properties

Compound Name4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
PubChem CID164838007
Molecular FormulaC67H45N3
Molecular Weight892.12 g/mol
Exact Mass891.36
IUPAC Name4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3c(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)cc1
InChIInChI=1S/C67H45N3/c1-5-23-46(24-6-1)51-31-15-19-39-60(51)69(48-27-9-3-10-28-48)63-42-22-38-59-66(63)55-34-14-18-36-57(55)67(59)56-35-17-13-33-54(56)65-58(67)37-21-41-62(65)68(47-25-7-2-8-26-47)50-43-44-53-52-32-16-20-40-61(52)70(64(53)45-50)49-29-11-4-12-30-49/h1-45H
InChIKeyMOGCTJDGKHOIDL-UHFFFAOYSA-N
XLogP17.73
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.12
LogP ≤ 517.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838074
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838003
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 90294621
3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838063
4-N-naphthalen-1-yl-3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838081
4-N-naphthalen-1-yl-1-N',1-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 164838106
1-N',3-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-1',3-diamine
CID 164838009
4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838041
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 163813386
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine
CID 165022817

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine?
The IUPAC name of 4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine (CID 164838007) is 4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine.
What is the SMILES notation for 4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine?
The canonical SMILES for 4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine is c1ccc(-c2ccccc2N(c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3c(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)cc1.
What is the InChIKey of 4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine?
The InChIKey is MOGCTJDGKHOIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45N3/c1-5-23-46(24-6-1)51-31-15-19-39-60(51)69(48-27-9-3-10-28-48)63-42-22-38-59-66(63)55-34-14-18-36-57(55)67(59)56-35-17-13-33-54(56)65-58(67)37-21-41-62(65)68(47-25-7-2-8-26-47)50-43-44-53-52-32-16-20-40-61(52)70(64(53)45-50)49-29-11-4-12-30-49/h1-45H.
What are the key properties of 4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine?
4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine has a molecular weight of 892.12 g/mol, XLogP of 17.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine is sourced from PubChem (CID 164838007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).