7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole

C55H36N4 — CID 118504699

IUPAC7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)cc5)c4cc32)cc1
InChIInChI=1S/C55H36N4/c1-35-23-25-37(26-24-35)56-48-19-9-7-17-42(48)46-33-47-43-18-8-10-20-49(43)57(53(47)34-52(46)56)38-27-29-39(30-28-38)59-51-22-12-6-16-41(51)45-32-31-44-40-15-5-11-21-50(40)58(54(44)55(45)59)36-13-3-2-4-14-36/h2-34H,1H3
InChIKeyXXZSCMJAMKFBHQ-UHFFFAOYSA-N
MW752.92 g/mol
LogP14.38
Rot. Bonds4

About 7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole

7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole (PubChem CID 118504699) has the molecular formula C55H36N4 and a molecular weight of 752.92 g/mol. Its IUPAC name is 7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
PubChem CID118504699
Molecular FormulaC55H36N4
Molecular Weight752.92 g/mol
Exact Mass752.29
IUPAC Name7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)cc5)c4cc32)cc1
InChIInChI=1S/C55H36N4/c1-35-23-25-37(26-24-35)56-48-19-9-7-17-42(48)46-33-47-43-18-8-10-20-49(43)57(53(47)34-52(46)56)38-27-29-39(30-28-38)59-51-22-12-6-16-41(51)45-32-31-44-40-15-5-11-21-50(40)58(54(44)55(45)59)36-13-3-2-4-14-36/h2-34H,1H3
InChIKeyXXZSCMJAMKFBHQ-UHFFFAOYSA-N
XLogP14.38
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole with MolForge

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Related Compounds

15-[4-(4-methylphenyl)sulfanylphenyl]-11,18-diphenyl-11,15,18-triazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 171844861
2-methyl-7-(4-methylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 71140488
2-methyl-9-phenylcarbazole
CID 59552741
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole
CID 134252986
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole?
The IUPAC name of 7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole (CID 118504699) is 7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole.
What is the SMILES notation for 7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole?
The canonical SMILES for 7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole is Cc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)cc5)c4cc32)cc1.
What is the InChIKey of 7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole?
The InChIKey is XXZSCMJAMKFBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4/c1-35-23-25-37(26-24-35)56-48-19-9-7-17-42(48)46-33-47-43-18-8-10-20-49(43)57(53(47)34-52(46)56)38-27-29-39(30-28-38)59-51-22-12-6-16-41(51)45-32-31-44-40-15-5-11-21-50(40)58(54(44)55(45)59)36-13-3-2-4-14-36/h2-34H,1H3.
What are the key properties of 7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole?
7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole has a molecular weight of 752.92 g/mol, XLogP of 14.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole is sourced from PubChem (CID 118504699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).