1-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole

C49H35N3 — CID 58556607

IUPAC1-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c(-c4ccccc4)c(-c4ccccc4)c4ccc5c(-c6cccc(-c7ccncc7)n6)cccc5c43)cc21
InChIInChI=1S/C49H35N3/c1-49(2)42-20-10-9-17-37(42)38-24-23-35(31-43(38)49)52-47(34-15-7-4-8-16-34)46(33-13-5-3-6-14-33)41-26-25-36-39(18-11-19-40(36)48(41)52)45-22-12-21-44(51-45)32-27-29-50-30-28-32/h3-31H,1-2H3
InChIKeyOMEZPPUQOZUOPQ-UHFFFAOYSA-N
MW665.84 g/mol
LogP12.55
Rot. Bonds5

About 1-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole

1-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole (PubChem CID 58556607) has the molecular formula C49H35N3 and a molecular weight of 665.84 g/mol. Its IUPAC name is 1-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole.

Molecular Properties

Compound Name1-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole
PubChem CID58556607
Molecular FormulaC49H35N3
Molecular Weight665.84 g/mol
Exact Mass665.28
IUPAC Name1-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c(-c4ccccc4)c(-c4ccccc4)c4ccc5c(-c6cccc(-c7ccncc7)n6)cccc5c43)cc21
InChIInChI=1S/C49H35N3/c1-49(2)42-20-10-9-17-37(42)38-24-23-35(31-43(38)49)52-47(34-15-7-4-8-16-34)46(33-13-5-3-6-14-33)41-26-25-36-39(18-11-19-40(36)48(41)52)45-22-12-21-44(51-45)32-27-29-50-30-28-32/h3-31H,1-2H3
InChIKeyOMEZPPUQOZUOPQ-UHFFFAOYSA-N
XLogP12.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.84
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole with MolForge

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Related Compounds

9,9-dimethyl-N-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 58161662
2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole
CID 58556594
9,9-dimethyl-7-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 58161686
N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58161729
11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenyl-4-pyridinyl)indolo[2,3-a]carbazole
CID 121385351
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161674
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161700
3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11(19),12,14,16-nonaene
CID 58161500
N-(9,9-dimethylfluoren-2-yl)-N-[7-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine
CID 58161684
4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 58161658
12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
CID 121385344
4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122537534

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole?
The IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole (CID 58556607) is 1-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole.
What is the SMILES notation for 1-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole?
The canonical SMILES for 1-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole is CC1(C)c2ccccc2-c2ccc(-n3c(-c4ccccc4)c(-c4ccccc4)c4ccc5c(-c6cccc(-c7ccncc7)n6)cccc5c43)cc21.
What is the InChIKey of 1-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole?
The InChIKey is OMEZPPUQOZUOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3/c1-49(2)42-20-10-9-17-37(42)38-24-23-35(31-43(38)49)52-47(34-15-7-4-8-16-34)46(33-13-5-3-6-14-33)41-26-25-36-39(18-11-19-40(36)48(41)52)45-22-12-21-44(51-45)32-27-29-50-30-28-32/h3-31H,1-2H3.
What are the key properties of 1-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole?
1-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole has a molecular weight of 665.84 g/mol, XLogP of 12.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole is sourced from PubChem (CID 58556607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).