3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole

C42H28N2 — CID 90321729

IUPAC3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2-c2cccc4c5ccccc5n(-c5ccccc5)c24)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H28N2/c1-4-15-29(16-5-1)32-27-28-39-41(35-22-11-13-26-38(35)43(39)30-17-6-2-7-18-30)40(32)36-24-14-23-34-33-21-10-12-25-37(33)44(42(34)36)31-19-8-3-9-20-31/h1-28H
InChIKeyGGGKIUNCIMLTEM-UHFFFAOYSA-N
MW560.70 g/mol
LogP11.21
Rot. Bonds4

About 3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole

3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole (PubChem CID 90321729) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole.

Molecular Properties

Compound Name3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole
PubChem CID90321729
Molecular FormulaC42H28N2
Molecular Weight560.70 g/mol
Exact Mass560.23
IUPAC Name3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2-c2cccc4c5ccccc5n(-c5ccccc5)c24)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H28N2/c1-4-15-29(16-5-1)32-27-28-39-41(35-22-11-13-26-38(35)43(39)30-17-6-2-7-18-30)40(32)36-24-14-23-34-33-21-10-12-25-37(33)44(42(34)36)31-19-8-3-9-20-31/h1-28H
InChIKeyGGGKIUNCIMLTEM-UHFFFAOYSA-N
XLogP11.21
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole
CID 90348691
6-[4-(3-phenylphenyl)phenyl]-6,21-diazaoctacyclo[19.10.1.02,14.05,13.07,12.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5(13),7,9,11,15,17,19,22,24,26,28(32),29-pentadecaene
CID 126700294
4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 164821252
1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole
CID 90321464
2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile
CID 155357747
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
CID 154590271
12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole
CID 176831437
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole
CID 171438087
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937
9,15-diphenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 122464932
9-phenyl-18-(5-phenylnaphthalen-1-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 170180072

Frequently Asked Questions

What is the IUPAC name of 3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole?
The IUPAC name of 3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole (CID 90321729) is 3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole.
What is the SMILES notation for 3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole?
The canonical SMILES for 3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole is c1ccc(-c2ccc3c(c2-c2cccc4c5ccccc5n(-c5ccccc5)c24)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole?
The InChIKey is GGGKIUNCIMLTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2/c1-4-15-29(16-5-1)32-27-28-39-41(35-22-11-13-26-38(35)43(39)30-17-6-2-7-18-30)40(32)36-24-14-23-34-33-21-10-12-25-37(33)44(42(34)36)31-19-8-3-9-20-31/h1-28H.
What are the key properties of 3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole?
3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole has a molecular weight of 560.70 g/mol, XLogP of 11.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole is sourced from PubChem (CID 90321729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).