3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine

C67H45N3 — CID 164838074

IUPAC3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)cc1
InChIInChI=1S/C67H45N3/c1-5-22-46(23-6-1)52-30-15-19-37-62(52)68(47-24-7-2-8-25-47)50-41-43-60-57(44-50)53-31-13-17-34-58(53)67(60)59-35-18-14-33-56(59)66-61(67)36-21-39-64(66)69(48-26-9-3-10-27-48)51-40-42-55-54-32-16-20-38-63(54)70(65(55)45-51)49-28-11-4-12-29-49/h1-45H
InChIKeyUIAWXLNDZTZWIZ-UHFFFAOYSA-N
MW892.12 g/mol
LogP17.73
Rot. Bonds8

About 3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine

3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine (PubChem CID 164838074) has the molecular formula C67H45N3 and a molecular weight of 892.12 g/mol. Its IUPAC name is 3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine.

Molecular Properties

Compound Name3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
PubChem CID164838074
Molecular FormulaC67H45N3
Molecular Weight892.12 g/mol
Exact Mass891.36
IUPAC Name3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)cc1
InChIInChI=1S/C67H45N3/c1-5-22-46(23-6-1)52-30-15-19-37-62(52)68(47-24-7-2-8-25-47)50-41-43-60-57(44-50)53-31-13-17-34-58(53)67(60)59-35-18-14-33-56(59)66-61(67)36-21-39-64(66)69(48-26-9-3-10-27-48)51-40-42-55-54-32-16-20-38-63(54)70(65(55)45-51)49-28-11-4-12-29-49/h1-45H
InChIKeyUIAWXLNDZTZWIZ-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

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-3-N'-(9-phenylcarbazol-2-yl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838003
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,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
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-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-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838041
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 90294621
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-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-diphenylfluoren-3-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-diphenylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-diphenylfluoren-3-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 159801744
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121423823
N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 163813386

Frequently Asked Questions

What is the IUPAC name of 3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine?
The IUPAC name of 3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine (CID 164838074) is 3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine.
What is the SMILES notation for 3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine?
The canonical SMILES for 3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine is c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)cc1.
What is the InChIKey of 3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine?
The InChIKey is UIAWXLNDZTZWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45N3/c1-5-22-46(23-6-1)52-30-15-19-37-62(52)68(47-24-7-2-8-25-47)50-41-43-60-57(44-50)53-31-13-17-34-58(53)67(60)59-35-18-14-33-56(59)66-61(67)36-21-39-64(66)69(48-26-9-3-10-27-48)51-40-42-55-54-32-16-20-38-63(54)70(65(55)45-51)49-28-11-4-12-29-49/h1-45H.
What are the key properties of 3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine?
3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',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 3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine is sourced from PubChem (CID 164838074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).