9-phenyl-3-(4'-phenyl-10,10'-spirobi[9H-anthracene]-2-yl)carbazole

C51H35N — CID 134527537

IUPAC9-phenyl-3-(4'-phenyl-10,10'-spirobi[9H-anthracene]-2-yl)carbazole
SMILESc1ccc(-c2cccc3c2C2(c4ccccc4Cc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc42)c2ccccc2C3)cc1
InChIInChI=1S/C51H35N/c1-3-14-34(15-4-1)42-22-13-18-39-31-37-16-7-10-23-45(37)51(50(39)42)46-24-11-8-17-38(46)32-40-30-35(26-28-47(40)51)36-27-29-49-44(33-36)43-21-9-12-25-48(43)52(49)41-19-5-2-6-20-41/h1-30,33H,31-32H2
InChIKeyOBGUBOAJDZYLRT-UHFFFAOYSA-N
MW661.85 g/mol
LogP12.31
Rot. Bonds3

About 9-phenyl-3-(4'-phenyl-10,10'-spirobi[9H-anthracene]-2-yl)carbazole

9-phenyl-3-(4'-phenyl-10,10'-spirobi[9H-anthracene]-2-yl)carbazole (PubChem CID 134527537) has the molecular formula C51H35N and a molecular weight of 661.85 g/mol. Its IUPAC name is 9-phenyl-3-(4'-phenyl-10,10'-spirobi[9H-anthracene]-2-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-3-(4'-phenyl-10,10'-spirobi[9H-anthracene]-2-yl)carbazole
PubChem CID134527537
Molecular FormulaC51H35N
Molecular Weight661.85 g/mol
Exact Mass661.28
IUPAC Name9-phenyl-3-(4'-phenyl-10,10'-spirobi[9H-anthracene]-2-yl)carbazole
SMILESc1ccc(-c2cccc3c2C2(c4ccccc4Cc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc42)c2ccccc2C3)cc1
InChIInChI=1S/C51H35N/c1-3-14-34(15-4-1)42-22-13-18-39-31-37-16-7-10-23-45(37)51(50(39)42)46-24-11-8-17-38(46)32-40-30-35(26-28-47(40)51)36-27-29-49-44(33-36)43-21-9-12-25-48(43)52(49)41-19-5-2-6-20-41/h1-30,33H,31-32H2
InChIKeyOBGUBOAJDZYLRT-UHFFFAOYSA-N
XLogP12.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.85
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9H-fluoren-4-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130230877
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 154590548
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590665
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[2-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[2-(4-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 157192267
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 154590784
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 160831831
3-[9-[2-(9H-fluoren-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 126753267
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[4-[3-[9-[3-(4-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590364
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 160904647
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(4'-phenyl-10,10'-spirobi[9H-anthracene]-2-yl)carbazole?
The IUPAC name of 9-phenyl-3-(4'-phenyl-10,10'-spirobi[9H-anthracene]-2-yl)carbazole (CID 134527537) is 9-phenyl-3-(4'-phenyl-10,10'-spirobi[9H-anthracene]-2-yl)carbazole.
What is the SMILES notation for 9-phenyl-3-(4'-phenyl-10,10'-spirobi[9H-anthracene]-2-yl)carbazole?
The canonical SMILES for 9-phenyl-3-(4'-phenyl-10,10'-spirobi[9H-anthracene]-2-yl)carbazole is c1ccc(-c2cccc3c2C2(c4ccccc4Cc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc42)c2ccccc2C3)cc1.
What is the InChIKey of 9-phenyl-3-(4'-phenyl-10,10'-spirobi[9H-anthracene]-2-yl)carbazole?
The InChIKey is OBGUBOAJDZYLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N/c1-3-14-34(15-4-1)42-22-13-18-39-31-37-16-7-10-23-45(37)51(50(39)42)46-24-11-8-17-38(46)32-40-30-35(26-28-47(40)51)36-27-29-49-44(33-36)43-21-9-12-25-48(43)52(49)41-19-5-2-6-20-41/h1-30,33H,31-32H2.
What are the key properties of 9-phenyl-3-(4'-phenyl-10,10'-spirobi[9H-anthracene]-2-yl)carbazole?
9-phenyl-3-(4'-phenyl-10,10'-spirobi[9H-anthracene]-2-yl)carbazole has a molecular weight of 661.85 g/mol, XLogP of 12.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-(4'-phenyl-10,10'-spirobi[9H-anthracene]-2-yl)carbazole is sourced from PubChem (CID 134527537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).