9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine

C59H38N2O — CID 164730877

IUPAC9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c3-c3c(ccc5ccccc35)C43c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C59H38N2O/c1-3-16-39(17-4-1)40-30-33-43(34-31-40)60(44-35-37-53-47(38-44)46-22-9-12-26-52(46)61(53)42-19-5-2-6-20-42)54-27-15-25-50-58(54)57-45-21-8-7-18-41(45)32-36-51(57)59(50)48-23-10-13-28-55(48)62-56-29-14-11-24-49(56)59/h1-38H
InChIKeyRMEOGTDCHAJIEZ-UHFFFAOYSA-N
MW790.97 g/mol
LogP15.54
Rot. Bonds5

About 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine

9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine (PubChem CID 164730877) has the molecular formula C59H38N2O and a molecular weight of 790.97 g/mol. Its IUPAC name is 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine
PubChem CID164730877
Molecular FormulaC59H38N2O
Molecular Weight790.97 g/mol
Exact Mass790.30
IUPAC Name9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c3-c3c(ccc5ccccc35)C43c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C59H38N2O/c1-3-16-39(17-4-1)40-30-33-43(34-31-40)60(44-35-37-53-47(38-44)46-22-9-12-26-52(46)61(53)42-19-5-2-6-20-42)54-27-15-25-50-58(54)57-45-21-8-7-18-41(45)32-36-51(57)59(50)48-23-10-13-28-55(48)62-56-29-14-11-24-49(56)59/h1-38H
InChIKeyRMEOGTDCHAJIEZ-UHFFFAOYSA-N
XLogP15.54
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine
CID 164730871
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine
CID 164730939
N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine
CID 164794270
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine;N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine;N-dibenzothiophen-4-yl-9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine
CID 164954606
N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850657
9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-amine
CID 170119076
9-phenyl-N-(4-phenylphenyl)-N-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylcarbazol-3-amine
CID 135229858
N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine
CID 170240634
N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;N-naphthalen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-naphthalen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine
CID 165032173
9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine
CID 170936096

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine?
The IUPAC name of 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine (CID 164730877) is 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine.
What is the SMILES notation for 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine?
The canonical SMILES for 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c3-c3c(ccc5ccccc35)C43c4ccccc4Oc4ccccc43)cc2)cc1.
What is the InChIKey of 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine?
The InChIKey is RMEOGTDCHAJIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2O/c1-3-16-39(17-4-1)40-30-33-43(34-31-40)60(44-35-37-53-47(38-44)46-22-9-12-26-52(46)61(53)42-19-5-2-6-20-42)54-27-15-25-50-58(54)57-45-21-8-7-18-41(45)32-36-51(57)59(50)48-23-10-13-28-55(48)62-56-29-14-11-24-49(56)59/h1-38H.
What are the key properties of 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine?
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine has a molecular weight of 790.97 g/mol, XLogP of 15.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine is sourced from PubChem (CID 164730877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).