7'-[9-phenyl-5-(9-phenylcarbazol-4-yl)-4b,8a-dihydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile

C62H39N3 — CID 146339477

IUPAC7'-[9-phenyl-5-(9-phenylcarbazol-4-yl)-4b,8a-dihydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile
SMILESN#Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3ccc4c(c3)C3C(c5cccc6c5c5ccccc5n6-c5ccccc5)=CC=CC3N4c3ccccc3)ccc1-2
InChIInChI=1S/C62H39N3/c63-38-39-29-32-46-47-33-30-41(37-55(47)62(54(46)35-39)52-24-10-7-19-44(52)45-20-8-11-25-53(45)62)40-31-34-57-51(36-40)61-49(23-14-28-59(61)65(57)43-17-5-2-6-18-43)48-22-13-27-58-60(48)50-21-9-12-26-56(50)64(58)42-15-3-1-4-16-42/h1-37,59,61H
InChIKeyLSQRKULIUMXZGI-UHFFFAOYSA-N
MW826.02 g/mol
LogP14.92
Rot. Bonds4

About 7'-[9-phenyl-5-(9-phenylcarbazol-4-yl)-4b,8a-dihydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile

7'-[9-phenyl-5-(9-phenylcarbazol-4-yl)-4b,8a-dihydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile (PubChem CID 146339477) has the molecular formula C62H39N3 and a molecular weight of 826.02 g/mol. Its IUPAC name is 7'-[9-phenyl-5-(9-phenylcarbazol-4-yl)-4b,8a-dihydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile.

Molecular Properties

Compound Name7'-[9-phenyl-5-(9-phenylcarbazol-4-yl)-4b,8a-dihydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile
PubChem CID146339477
Molecular FormulaC62H39N3
Molecular Weight826.02 g/mol
Exact Mass825.31
IUPAC Name7'-[9-phenyl-5-(9-phenylcarbazol-4-yl)-4b,8a-dihydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile
SMILESN#Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3ccc4c(c3)C3C(c5cccc6c5c5ccccc5n6-c5ccccc5)=CC=CC3N4c3ccccc3)ccc1-2
InChIInChI=1S/C62H39N3/c63-38-39-29-32-46-47-33-30-41(37-55(47)62(54(46)35-39)52-24-10-7-19-44(52)45-20-8-11-25-53(45)62)40-31-34-57-51(36-40)61-49(23-14-28-59(61)65(57)43-17-5-2-6-18-43)48-22-13-27-58-60(48)50-21-9-12-26-56(50)64(58)42-15-3-1-4-16-42/h1-37,59,61H
InChIKeyLSQRKULIUMXZGI-UHFFFAOYSA-N
XLogP14.92
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.02
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7'-[9-phenyl-5-(9-phenylcarbazol-4-yl)-4b,8a-dihydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile
CID 170189437
3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 176878089
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
1-N,3-N-bis(9-phenylcarbazol-4-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 121361242
3-methyl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 122418166
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 118507817
9,9-diphenyl-7-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile
CID 153302025
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-5-(9-phenylcarbazol-4-yl)carbazole-3-carbonitrile
CID 174269927
9,21-diphenyl-17-(9,9'-spirobi[fluorene]-2-yl)-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
CID 166584583
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 140922382
9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole
CID 134528134

Frequently Asked Questions

What is the IUPAC name of 7'-[9-phenyl-5-(9-phenylcarbazol-4-yl)-4b,8a-dihydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile?
The IUPAC name of 7'-[9-phenyl-5-(9-phenylcarbazol-4-yl)-4b,8a-dihydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile (CID 146339477) is 7'-[9-phenyl-5-(9-phenylcarbazol-4-yl)-4b,8a-dihydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile.
What is the SMILES notation for 7'-[9-phenyl-5-(9-phenylcarbazol-4-yl)-4b,8a-dihydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile?
The canonical SMILES for 7'-[9-phenyl-5-(9-phenylcarbazol-4-yl)-4b,8a-dihydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile is N#Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3ccc4c(c3)C3C(c5cccc6c5c5ccccc5n6-c5ccccc5)=CC=CC3N4c3ccccc3)ccc1-2.
What is the InChIKey of 7'-[9-phenyl-5-(9-phenylcarbazol-4-yl)-4b,8a-dihydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile?
The InChIKey is LSQRKULIUMXZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3/c63-38-39-29-32-46-47-33-30-41(37-55(47)62(54(46)35-39)52-24-10-7-19-44(52)45-20-8-11-25-53(45)62)40-31-34-57-51(36-40)61-49(23-14-28-59(61)65(57)43-17-5-2-6-18-43)48-22-13-27-58-60(48)50-21-9-12-26-56(50)64(58)42-15-3-1-4-16-42/h1-37,59,61H.
What are the key properties of 7'-[9-phenyl-5-(9-phenylcarbazol-4-yl)-4b,8a-dihydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile?
7'-[9-phenyl-5-(9-phenylcarbazol-4-yl)-4b,8a-dihydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile has a molecular weight of 826.02 g/mol, XLogP of 14.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-[9-phenyl-5-(9-phenylcarbazol-4-yl)-4b,8a-dihydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile is sourced from PubChem (CID 146339477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).