N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine

C59H38N2 — CID 164732106

IUPACN,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cccc4c(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc-3c24)cc1
InChIInChI=1S/C59H38N2/c1-4-17-39(18-5-1)40-31-33-46-49-35-36-56(50-26-16-29-53(58(49)50)59(54(46)37-40)51-27-13-10-23-44(51)45-24-11-14-28-52(45)59)60(41-19-6-2-7-20-41)43-32-34-48-47-25-12-15-30-55(47)61(57(48)38-43)42-21-8-3-9-22-42/h1-38H
InChIKeyDSQNTKSKGKWMSV-UHFFFAOYSA-N
MW774.97 g/mol
LogP15.42
Rot. Bonds5

About N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine

N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine (PubChem CID 164732106) has the molecular formula C59H38N2 and a molecular weight of 774.97 g/mol. Its IUPAC name is N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine
PubChem CID164732106
Molecular FormulaC59H38N2
Molecular Weight774.97 g/mol
Exact Mass774.30
IUPAC NameN,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cccc4c(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc-3c24)cc1
InChIInChI=1S/C59H38N2/c1-4-17-39(18-5-1)40-31-33-46-49-35-36-56(50-26-16-29-53(58(49)50)59(54(46)37-40)51-27-13-10-23-44(51)45-24-11-14-28-52(45)59)60(41-19-6-2-7-20-41)43-32-34-48-47-25-12-15-30-55(47)61(57(48)38-43)42-21-8-3-9-22-42/h1-38H
InChIKeyDSQNTKSKGKWMSV-UHFFFAOYSA-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 ≤ 500774.97
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
N-[2-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118265779
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 129085098
N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308738
N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 170240687
N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,N-diphenylaniline;N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine
CID 157370486
N,N,2',6,7'-pentakis-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine
CID 167126464
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838003
N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine
CID 164794018

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine?
The IUPAC name of N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine (CID 164732106) is N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine.
What is the SMILES notation for N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine?
The canonical SMILES for N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine is c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cccc4c(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc-3c24)cc1.
What is the InChIKey of N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine?
The InChIKey is DSQNTKSKGKWMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2/c1-4-17-39(18-5-1)40-31-33-46-49-35-36-56(50-26-16-29-53(58(49)50)59(54(46)37-40)51-27-13-10-23-44(51)45-24-11-14-28-52(45)59)60(41-19-6-2-7-20-41)43-32-34-48-47-25-12-15-30-55(47)61(57(48)38-43)42-21-8-3-9-22-42/h1-38H.
What are the key properties of N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine?
N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine has a molecular weight of 774.97 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 N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine is sourced from PubChem (CID 164732106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).