3-N',3-N',4-N'-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',4'-diamine

C65H43N3 — CID 155003622

IUPAC3-N',3-N',4-N'-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',4'-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2N(c2ccccc2)c2ccc4c(c2)c2ccccc2n4-c2ccccc2)-c2ccccc2C32c3ccccc3-c3cc4ccccc4cc32)cc1
InChIInChI=1S/C65H43N3/c1-5-23-46(24-6-1)66(47-25-7-2-8-26-47)62-40-38-58-63(53-33-16-19-35-57(53)65(58)56-34-18-15-31-51(56)54-41-44-21-13-14-22-45(44)42-59(54)65)64(62)67(48-27-9-3-10-28-48)50-37-39-61-55(43-50)52-32-17-20-36-60(52)68(61)49-29-11-4-12-30-49/h1-43H
InChIKeyBGZPKKDCPWOXCO-UHFFFAOYSA-N
MW866.08 g/mol
LogP17.22
Rot. Bonds7

About 3-N',3-N',4-N'-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',4'-diamine

3-N',3-N',4-N'-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',4'-diamine (PubChem CID 155003622) has the molecular formula C65H43N3 and a molecular weight of 866.08 g/mol. Its IUPAC name is 3-N',3-N',4-N'-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',4'-diamine.

Molecular Properties

Compound Name3-N',3-N',4-N'-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',4'-diamine
PubChem CID155003622
Molecular FormulaC65H43N3
Molecular Weight866.08 g/mol
Exact Mass865.35
IUPAC Name3-N',3-N',4-N'-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',4'-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2N(c2ccccc2)c2ccc4c(c2)c2ccccc2n4-c2ccccc2)-c2ccccc2C32c3ccccc3-c3cc4ccccc4cc32)cc1
InChIInChI=1S/C65H43N3/c1-5-23-46(24-6-1)66(47-25-7-2-8-26-47)62-40-38-58-63(53-33-16-19-35-57(53)65(58)56-34-18-15-31-51(56)54-41-44-21-13-14-22-45(44)42-59(54)65)64(62)67(48-27-9-3-10-28-48)50-37-39-61-55(43-50)52-32-17-20-36-60(52)68(61)49-29-11-4-12-30-49/h1-43H
InChIKeyBGZPKKDCPWOXCO-UHFFFAOYSA-N
XLogP17.22
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.08
LogP ≤ 517.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
3-N',3-N',5-N-triphenyl-5-N-(9-phenylcarbazol-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',5-diamine
CID 168774949
N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine
CID 159843414
3-N',3-N',10-N-triphenyl-10-N-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',10-diamine
CID 168775000
N-phenyl-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167255296
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
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
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759
4-N',6-N,6-N-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-4',6-diamine
CID 168775231
CID 134451097
CID 134451097
2'-carbazol-9-yl-N-naphthalen-1-yl-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423967
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

Frequently Asked Questions

What is the IUPAC name of 3-N',3-N',4-N'-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',4'-diamine?
The IUPAC name of 3-N',3-N',4-N'-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',4'-diamine (CID 155003622) is 3-N',3-N',4-N'-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',4'-diamine.
What is the SMILES notation for 3-N',3-N',4-N'-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',4'-diamine?
The canonical SMILES for 3-N',3-N',4-N'-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',4'-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2N(c2ccccc2)c2ccc4c(c2)c2ccccc2n4-c2ccccc2)-c2ccccc2C32c3ccccc3-c3cc4ccccc4cc32)cc1.
What is the InChIKey of 3-N',3-N',4-N'-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',4'-diamine?
The InChIKey is BGZPKKDCPWOXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N3/c1-5-23-46(24-6-1)66(47-25-7-2-8-26-47)62-40-38-58-63(53-33-16-19-35-57(53)65(58)56-34-18-15-31-51(56)54-41-44-21-13-14-22-45(44)42-59(54)65)64(62)67(48-27-9-3-10-28-48)50-37-39-61-55(43-50)52-32-17-20-36-60(52)68(61)49-29-11-4-12-30-49/h1-43H.
What are the key properties of 3-N',3-N',4-N'-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',4'-diamine?
3-N',3-N',4-N'-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',4'-diamine has a molecular weight of 866.08 g/mol, XLogP of 17.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N',3-N',4-N'-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',4'-diamine is sourced from PubChem (CID 155003622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).