9-[4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-1,2,10,10a-tetrahydro-1,10-phenanthroline

C47H36N2 — CID 170410980

IUPAC9-[4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-1,2,10,10a-tetrahydro-1,10-phenanthroline
SMILESCC1(C)c2cc(-c3ccc(C4=CC=C5C=CC6=C(NCC=C6)C5N4)c4ccccc34)ccc2-c2c1cc1ccccc1c2-c1ccccc1
InChIInChI=1S/C47H36N2/c1-47(2)40-27-33(20-22-39(40)44-41(47)28-32-13-6-7-15-35(32)43(44)29-11-4-3-5-12-29)34-23-24-38(37-17-9-8-16-36(34)37)42-25-21-31-19-18-30-14-10-26-48-45(30)46(31)49-42/h3-25,27-28,46,48-49H,26H2,1-2H3
InChIKeyLVWWHNAXOIOGDI-UHFFFAOYSA-N
MW628.82 g/mol
LogP10.86
Rot. Bonds3

About 9-[4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-1,2,10,10a-tetrahydro-1,10-phenanthroline

9-[4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-1,2,10,10a-tetrahydro-1,10-phenanthroline (PubChem CID 170410980) has the molecular formula C47H36N2 and a molecular weight of 628.82 g/mol. Its IUPAC name is 9-[4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-1,2,10,10a-tetrahydro-1,10-phenanthroline.

Molecular Properties

Compound Name9-[4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-1,2,10,10a-tetrahydro-1,10-phenanthroline
PubChem CID170410980
Molecular FormulaC47H36N2
Molecular Weight628.82 g/mol
Exact Mass628.29
IUPAC Name9-[4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-1,2,10,10a-tetrahydro-1,10-phenanthroline
SMILESCC1(C)c2cc(-c3ccc(C4=CC=C5C=CC6=C(NCC=C6)C5N4)c4ccccc34)ccc2-c2c1cc1ccccc1c2-c1ccccc1
InChIInChI=1S/C47H36N2/c1-47(2)40-27-33(20-22-39(40)44-41(47)28-32-13-6-7-15-35(32)43(44)29-11-4-3-5-12-29)34-23-24-38(37-17-9-8-16-36(34)37)42-25-21-31-19-18-30-14-10-26-48-45(30)46(31)49-42/h3-25,27-28,46,48-49H,26H2,1-2H3
InChIKeyLVWWHNAXOIOGDI-UHFFFAOYSA-N
XLogP10.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.82
LogP ≤ 510.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170410013
2-[4-[11,11-dimethyl-5-(4-phenylcyclohexa-1,3-dien-1-yl)benzo[b]fluoren-2-yl]phenyl]-4,6-diphenyl-1,2-dihydropyrimidine
CID 170411146
2-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157236277
3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 161038802
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880
N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N-phenyl-2-(2-phenylphenyl)aniline
CID 177079849
9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene
CID 58905940
9-[3-(5,11,11-triphenylbenzo[b]fluoren-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline
CID 170411869
5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
CID 134442738
2,5,8,11-tetrakis(11,11-dimethylbenzo[b]fluoren-5-yl)perylene
CID 58435360
9-[7-(12,12-dimethyl-15-phenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-9,9-dimethylfluoren-2-yl]-12,12-dimethyl-15-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479637
2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9,10-diphenylanthracene
CID 58251720

Frequently Asked Questions

What is the IUPAC name of 9-[4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-1,2,10,10a-tetrahydro-1,10-phenanthroline?
The IUPAC name of 9-[4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-1,2,10,10a-tetrahydro-1,10-phenanthroline (CID 170410980) is 9-[4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-1,2,10,10a-tetrahydro-1,10-phenanthroline.
What is the SMILES notation for 9-[4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-1,2,10,10a-tetrahydro-1,10-phenanthroline?
The canonical SMILES for 9-[4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-1,2,10,10a-tetrahydro-1,10-phenanthroline is CC1(C)c2cc(-c3ccc(C4=CC=C5C=CC6=C(NCC=C6)C5N4)c4ccccc34)ccc2-c2c1cc1ccccc1c2-c1ccccc1.
What is the InChIKey of 9-[4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-1,2,10,10a-tetrahydro-1,10-phenanthroline?
The InChIKey is LVWWHNAXOIOGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36N2/c1-47(2)40-27-33(20-22-39(40)44-41(47)28-32-13-6-7-15-35(32)43(44)29-11-4-3-5-12-29)34-23-24-38(37-17-9-8-16-36(34)37)42-25-21-31-19-18-30-14-10-26-48-45(30)46(31)49-42/h3-25,27-28,46,48-49H,26H2,1-2H3.
What are the key properties of 9-[4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-1,2,10,10a-tetrahydro-1,10-phenanthroline?
9-[4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-1,2,10,10a-tetrahydro-1,10-phenanthroline has a molecular weight of 628.82 g/mol, XLogP of 10.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-1,2,10,10a-tetrahydro-1,10-phenanthroline is sourced from PubChem (CID 170410980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).