5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]

C55H34N2 — CID 130288956

IUPAC5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6cc7c(cc6n(-c6ccccc6)c5c4)C4(c5ccccc5-c5ccccc54)c4ccccc4-7)ccc32)cc1
InChIInChI=1S/C55H34N2/c1-3-15-37(16-4-1)56-51-26-14-10-22-42(51)45-31-35(28-30-52(45)56)36-27-29-43-46-33-44-41-21-9-13-25-49(41)55(47-23-11-7-19-39(47)40-20-8-12-24-48(40)55)50(44)34-54(46)57(53(43)32-36)38-17-5-2-6-18-38/h1-34H
InChIKeyFQCXOIHKHWBJSW-UHFFFAOYSA-N
MW722.89 g/mol
LogP13.89
Rot. Bonds3

About 5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]

5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole] (PubChem CID 130288956) has the molecular formula C55H34N2 and a molecular weight of 722.89 g/mol. Its IUPAC name is 5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole].

Molecular Properties

Compound Name5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
PubChem CID130288956
Molecular FormulaC55H34N2
Molecular Weight722.89 g/mol
Exact Mass722.27
IUPAC Name5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6cc7c(cc6n(-c6ccccc6)c5c4)C4(c5ccccc5-c5ccccc54)c4ccccc4-7)ccc32)cc1
InChIInChI=1S/C55H34N2/c1-3-15-37(16-4-1)56-51-26-14-10-22-42(51)45-31-35(28-30-52(45)56)36-27-29-43-46-33-44-41-21-9-13-25-49(41)55(47-23-11-7-19-39(47)40-20-8-12-24-48(40)55)50(44)34-54(46)57(53(43)32-36)38-17-5-2-6-18-38/h1-34H
InChIKeyFQCXOIHKHWBJSW-UHFFFAOYSA-N
XLogP13.89
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.89
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole] 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-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
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 89472005
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880607
23,37-bis(9-phenylcarbazol-2-yl)spiro[23,37-diazanonacyclo[26.11.0.02,7.08,13.014,26.016,24.017,22.030,38.031,36]nonatriaconta-1(28),2,4,6,8,10,12,14(26),15,17,19,21,24,29,31,33,35,38-octadecaene-27,9'-fluorene]
CID 134555366
9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole
CID 138623650
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole]
CID 144556721
7,7-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 158074658

Frequently Asked Questions

What is the IUPAC name of 5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
The IUPAC name of 5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole] (CID 130288956) is 5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole].
What is the SMILES notation for 5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
The canonical SMILES for 5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole] is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6cc7c(cc6n(-c6ccccc6)c5c4)C4(c5ccccc5-c5ccccc54)c4ccccc4-7)ccc32)cc1.
What is the InChIKey of 5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
The InChIKey is FQCXOIHKHWBJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2/c1-3-15-37(16-4-1)56-51-26-14-10-22-42(51)45-31-35(28-30-52(45)56)36-27-29-43-46-33-44-41-21-9-13-25-49(41)55(47-23-11-7-19-39(47)40-20-8-12-24-48(40)55)50(44)34-54(46)57(53(43)32-36)38-17-5-2-6-18-38/h1-34H.
What are the key properties of 5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole] has a molecular weight of 722.89 g/mol, XLogP of 13.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole] is sourced from PubChem (CID 130288956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).