2-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine

C51H32N2O — CID 134529749

IUPAC2-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc42)c2oc4ccccc4c2-3)cc1
InChIInChI=1S/C51H32N2O/c1-3-15-33(16-4-1)52(34-17-5-2-6-18-34)35-28-30-41-45(31-35)51(50-49(41)42-22-10-14-26-48(42)54-50)43-23-11-7-19-37(43)38-29-27-36(32-44(38)51)53-46-24-12-8-20-39(46)40-21-9-13-25-47(40)53/h1-32H
InChIKeyDXUHBFCQHMLSOL-UHFFFAOYSA-N
MW688.83 g/mol
LogP13.34
Rot. Bonds4

About 2-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine

2-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine (PubChem CID 134529749) has the molecular formula C51H32N2O and a molecular weight of 688.83 g/mol. Its IUPAC name is 2-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine.

Molecular Properties

Compound Name2-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine
PubChem CID134529749
Molecular FormulaC51H32N2O
Molecular Weight688.83 g/mol
Exact Mass688.25
IUPAC Name2-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc42)c2oc4ccccc4c2-3)cc1
InChIInChI=1S/C51H32N2O/c1-3-15-33(16-4-1)52(34-17-5-2-6-18-34)35-28-30-41-45(31-35)51(50-49(41)42-22-10-14-26-48(42)54-50)43-23-11-7-19-37(43)38-29-27-36(32-44(38)51)53-46-24-12-8-20-39(46)40-21-9-13-25-47(40)53/h1-32H
InChIKeyDXUHBFCQHMLSOL-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

2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 134529735
2-N,8-N'-di(dibenzofuran-2-yl)-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 134529776
2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423941
N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine
CID 134529774
7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58084613
9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)fluoren-2-amine
CID 134551319
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121329609
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759
17-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032529
4-N-[3'-[4-[4-(3,5-diphenyl-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylanilino)phenyl]phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 134554868
2-N-naphthalen-1-yl-2-N,8-N'-diphenyl-8-N'-(2-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine;2-N-naphthalen-1-yl-2-N,8-N'-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine;8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine;8-N'-naphthalen-1-yl-8-N'-phenyl-2-N,2-N-bis(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 161431533
N-[3-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118505770

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine?
The IUPAC name of 2-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine (CID 134529749) is 2-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine.
What is the SMILES notation for 2-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine?
The canonical SMILES for 2-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc42)c2oc4ccccc4c2-3)cc1.
What is the InChIKey of 2-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine?
The InChIKey is DXUHBFCQHMLSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O/c1-3-15-33(16-4-1)52(34-17-5-2-6-18-34)35-28-30-41-45(31-35)51(50-49(41)42-22-10-14-26-48(42)54-50)43-23-11-7-19-37(43)38-29-27-36(32-44(38)51)53-46-24-12-8-20-39(46)40-21-9-13-25-47(40)53/h1-32H.
What are the key properties of 2-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine?
2-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-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 2-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine is sourced from PubChem (CID 134529749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).