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

C67H45N3 — CID 164838090

IUPAC4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4c(N(c5ccccc5)c5ccccc5)cccc43)cc2)cc1
InChIInChI=1S/C67H45N3/c1-5-21-46(22-6-1)47-39-41-51(42-40-47)69(52-43-44-54-53-29-15-18-36-61(53)70(64(54)45-52)50-27-11-4-12-28-50)63-38-20-35-60-66(63)56-31-14-17-33-58(56)67(60)57-32-16-13-30-55(57)65-59(67)34-19-37-62(65)68(48-23-7-2-8-24-48)49-25-9-3-10-26-49/h1-45H
InChIKeyFPMPGWYLGGSRNK-UHFFFAOYSA-N
MW892.12 g/mol
LogP17.73
Rot. Bonds8

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

4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine (PubChem CID 164838090) 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'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine.

Molecular Properties

Compound Name4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
PubChem CID164838090
Molecular FormulaC67H45N3
Molecular Weight892.12 g/mol
Exact Mass891.36
IUPAC Name4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4c(N(c5ccccc5)c5ccccc5)cccc43)cc2)cc1
InChIInChI=1S/C67H45N3/c1-5-21-46(22-6-1)47-39-41-51(42-40-47)69(52-43-44-54-53-29-15-18-36-61(53)70(64(54)45-52)50-27-11-4-12-28-50)63-38-20-35-60-66(63)56-31-14-17-33-58(56)67(60)57-32-16-13-30-55(57)65-59(67)34-19-37-62(65)68(48-23-7-2-8-24-48)49-25-9-3-10-26-49/h1-45H
InChIKeyFPMPGWYLGGSRNK-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-3-N'-(9-phenylcarbazol-2-yl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838003
4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838007
3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838074
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
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
N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 163813386
N-(1,2,3,4,5,6-hexadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 164988864
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
N-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121358469
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
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424630
N-(4-carbazol-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240907

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-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'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine (CID 164838090) is 4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-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'-(4-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'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine is c1ccc(-c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4c(N(c5ccccc5)c5ccccc5)cccc43)cc2)cc1.
What is the InChIKey of 4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine?
The InChIKey is FPMPGWYLGGSRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45N3/c1-5-21-46(22-6-1)47-39-41-51(42-40-47)69(52-43-44-54-53-29-15-18-36-61(53)70(64(54)45-52)50-27-11-4-12-28-50)63-38-20-35-60-66(63)56-31-14-17-33-58(56)67(60)57-32-16-13-30-55(57)65-59(67)34-19-37-62(65)68(48-23-7-2-8-24-48)49-25-9-3-10-26-49/h1-45H.
What are the key properties of 4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine?
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-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'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine is sourced from PubChem (CID 164838090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).