5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]

C50H32N2 — CID 167052788

IUPAC5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
SMILESCc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4C64c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C50H32N2/c1-31-22-24-32(25-23-31)51-46-20-10-5-15-37(46)40-28-33(26-27-48(40)51)52-47-21-11-6-16-38(47)41-29-45-39(30-49(41)52)36-14-4-9-19-44(36)50(45)42-17-7-2-12-34(42)35-13-3-8-18-43(35)50/h2-30H,1H3
InChIKeyWCMYESHPWMCZQL-UHFFFAOYSA-N
MW660.82 g/mol
LogP12.53
Rot. Bonds2

About 5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]

5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole] (PubChem CID 167052788) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole].

Molecular Properties

Compound Name5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
PubChem CID167052788
Molecular FormulaC50H32N2
Molecular Weight660.82 g/mol
Exact Mass660.26
IUPAC Name5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
SMILESCc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4C64c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C50H32N2/c1-31-22-24-32(25-23-31)51-46-20-10-5-15-37(46)40-28-33(26-27-48(40)51)52-47-21-11-6-16-38(47)41-29-45-39(30-49(41)52)36-14-4-9-19-44(36)50(45)42-17-7-2-12-34(42)35-13-3-8-18-43(35)50/h2-30H,1H3
InChIKeyWCMYESHPWMCZQL-UHFFFAOYSA-N
XLogP12.53
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
CID 134551753
CID 134551753
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161280871
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
3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole
CID 121400315
CID 134551673
CID 134551673
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537

Frequently Asked Questions

What is the IUPAC name of 5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]?
The IUPAC name of 5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole] (CID 167052788) is 5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole].
What is the SMILES notation for 5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]?
The canonical SMILES for 5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole] is Cc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4C64c5ccccc5-c5ccccc54)ccc32)cc1.
What is the InChIKey of 5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]?
The InChIKey is WCMYESHPWMCZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-31-22-24-32(25-23-31)51-46-20-10-5-15-37(46)40-28-33(26-27-48(40)51)52-47-21-11-6-16-38(47)41-29-45-39(30-49(41)52)36-14-4-9-19-44(36)50(45)42-17-7-2-12-34(42)35-13-3-8-18-43(35)50/h2-30H,1H3.
What are the key properties of 5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]?
5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole] has a molecular weight of 660.82 g/mol, XLogP of 12.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole] is sourced from PubChem (CID 167052788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).