11a-methyl-7,7-diphenyl-12-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-7aH-indeno[1,2-a]carbazole

C55H39N3 — CID 163829945

IUPAC11a-methyl-7,7-diphenyl-12-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-7aH-indeno[1,2-a]carbazole
SMILESCC12C=CC=CC1C(c1ccccc1)(c1ccccc1)c1ccc3c4ccccc4n(-c4ccc(-c5ccc(-n6c7ccccc7c7cnccc76)cc5)cc4)c3c12
InChIInChI=1S/C55H39N3/c1-54-34-13-12-22-51(54)55(39-14-4-2-5-15-39,40-16-6-3-7-17-40)47-32-31-45-43-18-8-11-21-49(43)58(53(45)52(47)54)42-29-25-38(26-30-42)37-23-27-41(28-24-37)57-48-20-10-9-19-44(48)46-36-56-35-33-50(46)57/h2-36,51H,1H3
InChIKeyOCVCRXDQEQVZDT-UHFFFAOYSA-N
MW741.94 g/mol
LogP13.29
Rot. Bonds5

About 11a-methyl-7,7-diphenyl-12-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-7aH-indeno[1,2-a]carbazole

11a-methyl-7,7-diphenyl-12-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-7aH-indeno[1,2-a]carbazole (PubChem CID 163829945) has the molecular formula C55H39N3 and a molecular weight of 741.94 g/mol. Its IUPAC name is 11a-methyl-7,7-diphenyl-12-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-7aH-indeno[1,2-a]carbazole.

Molecular Properties

Compound Name11a-methyl-7,7-diphenyl-12-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-7aH-indeno[1,2-a]carbazole
PubChem CID163829945
Molecular FormulaC55H39N3
Molecular Weight741.94 g/mol
Exact Mass741.31
IUPAC Name11a-methyl-7,7-diphenyl-12-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-7aH-indeno[1,2-a]carbazole
SMILESCC12C=CC=CC1C(c1ccccc1)(c1ccccc1)c1ccc3c4ccccc4n(-c4ccc(-c5ccc(-n6c7ccccc7c7cnccc76)cc5)cc4)c3c12
InChIInChI=1S/C55H39N3/c1-54-34-13-12-22-51(54)55(39-14-4-2-5-15-39,40-16-6-3-7-17-40)47-32-31-45-43-18-8-11-21-49(43)58(53(45)52(47)54)42-29-25-38(26-30-42)37-23-27-41(28-24-37)57-48-20-10-9-19-44(48)46-36-56-35-33-50(46)57/h2-36,51H,1H3
InChIKeyOCVCRXDQEQVZDT-UHFFFAOYSA-N
XLogP13.29
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.94
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,7-diphenyl-12-[4-[4-(5,7,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaen-7-yl)phenyl]phenyl]indeno[1,2-a]carbazole
CID 163730968
12'-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 147774420
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 170060405
5,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-(9-phenylcarbazol-3-yl)-12-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-phenyl-12-(4-pyrido[4,3-b]indol-5-ylphenyl)indolo[3,2-c]carbazole
CID 161358691
12-[3-(4-phenylphenyl)phenyl]-11-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[2,3-a]carbazole;12-(3-phenylphenyl)-11-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[2,3-a]carbazole;11-phenyl-12-(5-phenylpyrimido[5,4-b]indol-8-yl)indolo[2,3-a]carbazole;11-phenyl-12-(9-phenylpyrimido[4,5-b]indol-6-yl)indolo[2,3-a]carbazole
CID 162222181
5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole
CID 59344150
3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 163828573
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
5-(3-carbazol-9-ylphenyl)-8-phenylpyrido[4,3-b]indole
CID 170060228
11-(4-phenylphenyl)-12-pyridin-3-ylindolo[2,3-a]carbazole
CID 126731374
12-(4-phenylphenyl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)indolo[3,2-c]carbazole;12-(4-phenylphenyl)-5-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[3,2-c]carbazole
CID 158424691
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991

Frequently Asked Questions

What is the IUPAC name of 11a-methyl-7,7-diphenyl-12-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-7aH-indeno[1,2-a]carbazole?
The IUPAC name of 11a-methyl-7,7-diphenyl-12-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-7aH-indeno[1,2-a]carbazole (CID 163829945) is 11a-methyl-7,7-diphenyl-12-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-7aH-indeno[1,2-a]carbazole.
What is the SMILES notation for 11a-methyl-7,7-diphenyl-12-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-7aH-indeno[1,2-a]carbazole?
The canonical SMILES for 11a-methyl-7,7-diphenyl-12-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-7aH-indeno[1,2-a]carbazole is CC12C=CC=CC1C(c1ccccc1)(c1ccccc1)c1ccc3c4ccccc4n(-c4ccc(-c5ccc(-n6c7ccccc7c7cnccc76)cc5)cc4)c3c12.
What is the InChIKey of 11a-methyl-7,7-diphenyl-12-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-7aH-indeno[1,2-a]carbazole?
The InChIKey is OCVCRXDQEQVZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N3/c1-54-34-13-12-22-51(54)55(39-14-4-2-5-15-39,40-16-6-3-7-17-40)47-32-31-45-43-18-8-11-21-49(43)58(53(45)52(47)54)42-29-25-38(26-30-42)37-23-27-41(28-24-37)57-48-20-10-9-19-44(48)46-36-56-35-33-50(46)57/h2-36,51H,1H3.
What are the key properties of 11a-methyl-7,7-diphenyl-12-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-7aH-indeno[1,2-a]carbazole?
11a-methyl-7,7-diphenyl-12-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-7aH-indeno[1,2-a]carbazole has a molecular weight of 741.94 g/mol, XLogP of 13.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11a-methyl-7,7-diphenyl-12-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-7aH-indeno[1,2-a]carbazole is sourced from PubChem (CID 163829945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).