9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine

C61H40N2O — CID 170240605

IUPAC9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4Oc4cccc(-c5ccccc5)c42)c2ccccc2-3)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C61H40N2O/c1-4-19-41(20-5-1)46-25-11-15-31-55(46)62(45-36-38-51-50-27-12-16-32-56(50)63(57(51)40-45)43-23-8-3-9-24-43)44-35-37-49-48-26-10-13-29-52(48)61(54(49)39-44)53-30-14-17-33-58(53)64-59-34-18-28-47(60(59)61)42-21-6-2-7-22-42/h1-40H
InChIKeyVHLPWRNFOKTVQM-UHFFFAOYSA-N
MW817.00 g/mol
LogP16.06
Rot. Bonds6

About 9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine

9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine (PubChem CID 170240605) has the molecular formula C61H40N2O and a molecular weight of 817.00 g/mol. Its IUPAC name is 9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine.

Molecular Properties

Compound Name9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine
PubChem CID170240605
Molecular FormulaC61H40N2O
Molecular Weight817.00 g/mol
Exact Mass816.31
IUPAC Name9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4Oc4cccc(-c5ccccc5)c42)c2ccccc2-3)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C61H40N2O/c1-4-19-41(20-5-1)46-25-11-15-31-55(46)62(45-36-38-51-50-27-12-16-32-56(50)63(57(51)40-45)43-23-8-3-9-24-43)44-35-37-49-48-26-10-13-29-52(48)61(54(49)39-44)53-30-14-17-33-58(53)64-59-34-18-28-47(60(59)61)42-21-6-2-7-22-42/h1-40H
InChIKeyVHLPWRNFOKTVQM-UHFFFAOYSA-N
XLogP16.06
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.00
LogP ≤ 516.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-amine
CID 170119076
N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 164794962
N-[2-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118265779
N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine
CID 170240634
N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 170240687
1-N',3-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-1',3-diamine
CID 164838009
N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane
CID 145464353
N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-phenyl-N-(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 165007618
N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;N-phenyl-9-(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-phenyl-N-(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine
CID 165106958
9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
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

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine?
The IUPAC name of 9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine (CID 170240605) is 9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine.
What is the SMILES notation for 9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine?
The canonical SMILES for 9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4Oc4cccc(-c5ccccc5)c42)c2ccccc2-3)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine?
The InChIKey is VHLPWRNFOKTVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2O/c1-4-19-41(20-5-1)46-25-11-15-31-55(46)62(45-36-38-51-50-27-12-16-32-56(50)63(57(51)40-45)43-23-8-3-9-24-43)44-35-37-49-48-26-10-13-29-52(48)61(54(49)39-44)53-30-14-17-33-58(53)64-59-34-18-28-47(60(59)61)42-21-6-2-7-22-42/h1-40H.
What are the key properties of 9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine?
9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine has a molecular weight of 817.00 g/mol, XLogP of 16.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine is sourced from PubChem (CID 170240605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).