9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine

C55H38N2 — CID 166705704

IUPAC9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2cc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C55H38N2/c1-3-17-37(18-4-1)41-21-10-15-29-52(41)56(40-32-34-54-47(36-40)45-25-11-16-30-53(45)57(54)38-19-5-2-6-20-38)39-31-33-51-46(35-39)44-24-9-14-28-50(44)55(51)48-26-12-7-22-42(48)43-23-8-13-27-49(43)55/h1-12,14-26,28-36H,13,27H2
InChIKeyMDCJPSNCBJAZJC-UHFFFAOYSA-N
MW726.92 g/mol
LogP14.35
Rot. Bonds5

About 9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine

9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine (PubChem CID 166705704) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is 9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine
PubChem CID166705704
Molecular FormulaC55H38N2
Molecular Weight726.92 g/mol
Exact Mass726.30
IUPAC Name9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2cc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C55H38N2/c1-3-17-37(18-4-1)41-21-10-15-29-52(41)56(40-32-34-54-47(36-40)45-25-11-16-30-53(45)57(54)38-19-5-2-6-20-38)39-31-33-51-46(35-39)44-24-9-14-28-50(44)55(51)48-26-12-7-22-42(48)43-23-8-13-27-49(43)55/h1-12,14-26,28-36H,13,27H2
InChIKeyMDCJPSNCBJAZJC-UHFFFAOYSA-N
XLogP14.35
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.92
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 143437968
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 139567817
N,10'-diphenyl-N-(9-phenylcarbazol-3-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]-2'-amine
CID 166844754
9,9-diphenyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 138667407
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-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylcarbazol-3-amine
CID 138582687
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane
CID 145464353
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167286124
2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 177116819
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-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine?
The IUPAC name of 9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine (CID 166705704) is 9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine.
What is the SMILES notation for 9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine?
The canonical SMILES for 9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine is C1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2cc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3-c3ccccc3)ccc21.
What is the InChIKey of 9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine?
The InChIKey is MDCJPSNCBJAZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-3-17-37(18-4-1)41-21-10-15-29-52(41)56(40-32-34-54-47(36-40)45-25-11-16-30-53(45)57(54)38-19-5-2-6-20-38)39-31-33-51-46(35-39)44-24-9-14-28-50(44)55(51)48-26-12-7-22-42(48)43-23-8-13-27-49(43)55/h1-12,14-26,28-36H,13,27H2.
What are the key properties of 9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine?
9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine has a molecular weight of 726.92 g/mol, XLogP of 14.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine is sourced from PubChem (CID 166705704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).