4-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine

C51H32N2O — CID 134529861

IUPAC4-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2-c2oc4ccccc4c2C32c3ccccc3-c3c(-n4c5ccccc5c5ccccc54)cccc32)cc1
InChIInChI=1S/C51H32N2O/c1-3-17-33(18-4-1)52(34-19-5-2-6-20-34)45-31-16-27-41-48(45)50-49(38-24-10-14-32-46(38)54-50)51(41)39-25-11-7-23-37(39)47-40(51)26-15-30-44(47)53-42-28-12-8-21-35(42)36-22-9-13-29-43(36)53/h1-32H
InChIKeyHMLCRVOCRLPSLH-UHFFFAOYSA-N
MW688.83 g/mol
LogP13.34
Rot. Bonds4

About 4-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine

4-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine (PubChem CID 134529861) has the molecular formula C51H32N2O and a molecular weight of 688.83 g/mol. Its IUPAC name is 4-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine.

Molecular Properties

Compound Name4-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine
PubChem CID134529861
Molecular FormulaC51H32N2O
Molecular Weight688.83 g/mol
Exact Mass688.25
IUPAC Name4-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2-c2oc4ccccc4c2C32c3ccccc3-c3c(-n4c5ccccc5c5ccccc54)cccc32)cc1
InChIInChI=1S/C51H32N2O/c1-3-17-33(18-4-1)52(34-19-5-2-6-20-34)45-31-16-27-41-48(45)50-49(38-24-10-14-32-46(38)54-50)51(41)39-25-11-7-23-37(39)47-40(51)26-15-30-44(47)53-42-28-12-8-21-35(42)36-22-9-13-29-43(36)53/h1-32H
InChIKeyHMLCRVOCRLPSLH-UHFFFAOYSA-N
XLogP13.34
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine
CID 134551135
6-carbazol-9-yl-N-(9,9-diphenylfluoren-4-yl)-N-phenyldibenzofuran-3-amine
CID 165374523
2-[4-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118265642
N-(9,9-diphenylfluoren-4-yl)-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135168297
2-N'-naphthalen-2-yl-2-N,2-N-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,2'-diamine;2-N-naphthalen-2-yl-2-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4'-diamine;2-N,2-N,5-N,5-N-tetraphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,5-diamine;2-N',2-N',4-N-triphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2',4-diamine
CID 159110697
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424581
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424255
2'-[4-(fluoren-9-ylidenemethyl)phenyl]-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-amine
CID 170221477
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424440
N,N-diphenyl-9-[5-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]carbazol-4-amine
CID 171418819
2-N,4-N,4-N-triphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4-diamine
CID 134529625
N-(4-dibenzofuran-1-ylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135168354

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine?
The IUPAC name of 4-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine (CID 134529861) is 4-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine.
What is the SMILES notation for 4-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine?
The canonical SMILES for 4-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine is c1ccc(N(c2ccccc2)c2cccc3c2-c2oc4ccccc4c2C32c3ccccc3-c3c(-n4c5ccccc5c5ccccc54)cccc32)cc1.
What is the InChIKey of 4-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine?
The InChIKey is HMLCRVOCRLPSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O/c1-3-17-33(18-4-1)52(34-19-5-2-6-20-34)45-31-16-27-41-48(45)50-49(38-24-10-14-32-46(38)54-50)51(41)39-25-11-7-23-37(39)47-40(51)26-15-30-44(47)53-42-28-12-8-21-35(42)36-22-9-13-29-43(36)53/h1-32H.
What are the key properties of 4-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine?
4-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine has a molecular weight of 688.83 g/mol, XLogP of 13.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine is sourced from PubChem (CID 134529861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).