4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole

C48H32N2 — CID 171457959

IUPAC4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc4c3c3ccccc3n4-c3cccc4c3c3ccccc3n4-c3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C48H32N2/c1-3-15-33(16-4-1)35-19-11-21-37(31-35)39-25-13-28-44-47(39)40-23-7-10-27-43(40)50(44)46-30-14-29-45-48(46)41-24-8-9-26-42(41)49(45)38-22-12-20-36(32-38)34-17-5-2-6-18-34/h1-32H
InChIKeyAHKHUHDTKGDQOP-UHFFFAOYSA-N
MW636.80 g/mol
LogP12.88
Rot. Bonds5

About 4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole

4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole (PubChem CID 171457959) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole.

Molecular Properties

Compound Name4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
PubChem CID171457959
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC Name4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc4c3c3ccccc3n4-c3cccc4c3c3ccccc3n4-c3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C48H32N2/c1-3-15-33(16-4-1)35-19-11-21-37(31-35)39-25-13-28-44-47(39)40-23-7-10-27-43(40)50(44)46-30-14-29-45-48(46)41-24-8-9-26-42(41)49(45)38-22-12-20-36(32-38)34-17-5-2-6-18-34/h1-32H
InChIKeyAHKHUHDTKGDQOP-UHFFFAOYSA-N
XLogP12.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole
CID 171458457
9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 138474938
4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659856
4-(3-phenylphenyl)-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 171458634
4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 166660662
4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 165386046
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170374188
5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319609
3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659651
9-(3-phenylphenyl)-14-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 138747357
3-[4-[5,9-bis(3-phenylphenyl)carbazol-3-yl]phenyl]-5,9-bis(3-phenylphenyl)carbazole;5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-phenyl-5-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158407520

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole?
The IUPAC name of 4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole (CID 171457959) is 4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole.
What is the SMILES notation for 4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole?
The canonical SMILES for 4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole is c1ccc(-c2cccc(-c3cccc4c3c3ccccc3n4-c3cccc4c3c3ccccc3n4-c3cccc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole?
The InChIKey is AHKHUHDTKGDQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-3-15-33(16-4-1)35-19-11-21-37(31-35)39-25-13-28-44-47(39)40-23-7-10-27-43(40)50(44)46-30-14-29-45-48(46)41-24-8-9-26-42(41)49(45)38-22-12-20-36(32-38)34-17-5-2-6-18-34/h1-32H.
What are the key properties of 4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole?
4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole has a molecular weight of 636.80 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole is sourced from PubChem (CID 171457959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).