9-phenyl-N-(4-phenylphenyl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine

C59H38N2 — CID 165019271

IUPAC9-phenyl-N-(4-phenylphenyl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1ccccc1C21c2ccccc2-c2cccc3c(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc1c23
InChIInChI=1S/C59H38N2/c1-3-16-39(17-4-1)40-30-32-42(33-31-40)60(43-34-36-57-50(38-43)47-23-10-14-29-55(47)61(57)41-18-5-2-6-19-41)56-37-35-54-58-48(24-15-25-49(56)58)46-22-9-13-28-53(46)59(54)51-26-11-7-20-44(51)45-21-8-12-27-52(45)59/h1-38H/i7D,11D,20D,26D
InChIKeyOEUVITSMCNBQIU-BUBRVBQRSA-N
MW778.99 g/mol
LogP15.42
Rot. Bonds5

About 9-phenyl-N-(4-phenylphenyl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine

9-phenyl-N-(4-phenylphenyl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine (PubChem CID 165019271) has the molecular formula C59H38N2 and a molecular weight of 778.99 g/mol. Its IUPAC name is 9-phenyl-N-(4-phenylphenyl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N-(4-phenylphenyl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine
PubChem CID165019271
Molecular FormulaC59H38N2
Molecular Weight778.99 g/mol
Exact Mass778.33
IUPAC Name9-phenyl-N-(4-phenylphenyl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1ccccc1C21c2ccccc2-c2cccc3c(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc1c23
InChIInChI=1S/C59H38N2/c1-3-16-39(17-4-1)40-30-32-42(33-31-40)60(43-34-36-57-50(38-43)47-23-10-14-29-55(47)61(57)41-18-5-2-6-19-41)56-37-35-54-58-48(24-15-25-49(56)58)46-22-9-13-28-53(46)59(54)51-26-11-7-20-44(51)45-21-8-12-27-52(45)59/h1-38H/i7D,11D,20D,26D
InChIKeyOEUVITSMCNBQIU-BUBRVBQRSA-N
XLogP15.42
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.99
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,9-diphenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine
CID 165019267
9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine
CID 165015040
N-(1,2,3,4,5,6-hexadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 164976524
N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine
CID 164732106
N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine
CID 164794018
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
N-(1,2,3,4,5,6-hexadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 164988864
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine
CID 165065347
4,5,6,8,9,10,14,15,16,18,19,20-dodecadeuterio-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]spiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine
CID 153308716
N-(1,2,3,4,5,6-hexadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine;N-(1,2,3,4,5,6-hexadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl)-9-phenyl-N-(2-phenylphenyl)carbazol-3-amine;N-(1,2,3,4,5,6-hexadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 165104115
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(4-phenylphenyl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine?
The IUPAC name of 9-phenyl-N-(4-phenylphenyl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine (CID 165019271) is 9-phenyl-N-(4-phenylphenyl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine.
What is the SMILES notation for 9-phenyl-N-(4-phenylphenyl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine?
The canonical SMILES for 9-phenyl-N-(4-phenylphenyl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine is [2H]c1c([2H])c([2H])c2c(c1[2H])-c1ccccc1C21c2ccccc2-c2cccc3c(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc1c23.
What is the InChIKey of 9-phenyl-N-(4-phenylphenyl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine?
The InChIKey is OEUVITSMCNBQIU-BUBRVBQRSA-N. The full InChI is InChI=1S/C59H38N2/c1-3-16-39(17-4-1)40-30-32-42(33-31-40)60(43-34-36-57-50(38-43)47-23-10-14-29-55(47)61(57)41-18-5-2-6-19-41)56-37-35-54-58-48(24-15-25-49(56)58)46-22-9-13-28-53(46)59(54)51-26-11-7-20-44(51)45-21-8-12-27-52(45)59/h1-38H/i7D,11D,20D,26D.
What are the key properties of 9-phenyl-N-(4-phenylphenyl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine?
9-phenyl-N-(4-phenylphenyl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine has a molecular weight of 778.99 g/mol, XLogP of 15.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(4-phenylphenyl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine is sourced from PubChem (CID 165019271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).