6,12-dimethyl-5-(4-phenylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole

C50H36N2 — CID 134509787

IUPAC6,12-dimethyl-5-(4-phenylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
SMILESCc1c2c3ccccc3n(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2c(C)c2c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c12
InChIInChI=1S/C50H36N2/c1-33-48-44-18-10-12-20-46(44)52(42-31-27-40(28-32-42)38-23-21-37(22-24-38)35-13-5-3-6-14-35)50(48)34(2)47-43-17-9-11-19-45(43)51(49(33)47)41-29-25-39(26-30-41)36-15-7-4-8-16-36/h3-32H,1-2H3
InChIKeyLVSCWVJXVZUVCU-UHFFFAOYSA-N
MW664.85 g/mol
LogP13.50
Rot. Bonds5

About 6,12-dimethyl-5-(4-phenylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole

6,12-dimethyl-5-(4-phenylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole (PubChem CID 134509787) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is 6,12-dimethyl-5-(4-phenylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name6,12-dimethyl-5-(4-phenylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
PubChem CID134509787
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC Name6,12-dimethyl-5-(4-phenylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
SMILESCc1c2c3ccccc3n(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2c(C)c2c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c12
InChIInChI=1S/C50H36N2/c1-33-48-44-18-10-12-20-46(44)52(42-31-27-40(28-32-42)38-23-21-37(22-24-38)35-13-5-3-6-14-35)50(48)34(2)47-43-17-9-11-19-45(43)51(49(33)47)41-29-25-39(26-30-41)36-15-7-4-8-16-36/h3-32H,1-2H3
InChIKeyLVSCWVJXVZUVCU-UHFFFAOYSA-N
XLogP13.50
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,12-dimethyl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 134507217
9,18-diphenyl-21-(4-phenylphenyl)-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 138729666
18-phenyl-9,21-bis(4-phenylphenyl)-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 138729733
9-methyl-18-[4-(4-phenylphenyl)phenyl]-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 126501137
9,14-bis(4-phenylphenyl)-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;ethane
CID 177063537
4-methyl-9-(4-phenylphenyl)carbazole
CID 122415243
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
9,14-bis(4-phenylphenyl)-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;11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5,11-bis(4-phenylphenyl)indolo[3,2-b]carbazole
CID 160608465
12-(4-methylphenyl)-5,9-diphenylindolo[3,2-c]carbazole
CID 121287125
9,18-diphenyl-27-[3-(4-phenylphenyl)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 138730085
9,18,27-tris[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227811

Frequently Asked Questions

What is the IUPAC name of 6,12-dimethyl-5-(4-phenylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole?
The IUPAC name of 6,12-dimethyl-5-(4-phenylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole (CID 134509787) is 6,12-dimethyl-5-(4-phenylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole.
What is the SMILES notation for 6,12-dimethyl-5-(4-phenylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole?
The canonical SMILES for 6,12-dimethyl-5-(4-phenylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole is Cc1c2c3ccccc3n(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2c(C)c2c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c12.
What is the InChIKey of 6,12-dimethyl-5-(4-phenylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole?
The InChIKey is LVSCWVJXVZUVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c1-33-48-44-18-10-12-20-46(44)52(42-31-27-40(28-32-42)38-23-21-37(22-24-38)35-13-5-3-6-14-35)50(48)34(2)47-43-17-9-11-19-45(43)51(49(33)47)41-29-25-39(26-30-41)36-15-7-4-8-16-36/h3-32H,1-2H3.
What are the key properties of 6,12-dimethyl-5-(4-phenylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole?
6,12-dimethyl-5-(4-phenylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole has a molecular weight of 664.85 g/mol, XLogP of 13.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-dimethyl-5-(4-phenylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole is sourced from PubChem (CID 134509787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).