1-[4-(7,7-dimethyl-9-naphthalen-2-ylbenzo[c]fluoren-5-yl)phenyl]-2-phenylbenzimidazole

C48H34N2 — CID 143828997

IUPAC1-[4-(7,7-dimethyl-9-naphthalen-2-ylbenzo[c]fluoren-5-yl)phenyl]-2-phenylbenzimidazole
SMILESCC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2c1cc(-c1ccc(-n3c(-c4ccccc4)nc4ccccc43)cc1)c1ccccc21
InChIInChI=1S/C48H34N2/c1-48(2)42-29-36(35-21-20-31-12-6-7-15-34(31)28-35)24-27-40(42)46-39-17-9-8-16-38(39)41(30-43(46)48)32-22-25-37(26-23-32)50-45-19-11-10-18-44(45)49-47(50)33-13-4-3-5-14-33/h3-30H,1-2H3
InChIKeyCLNMRUWHWODKLZ-UHFFFAOYSA-N
MW638.81 g/mol
LogP12.64
Rot. Bonds4

About 1-[4-(7,7-dimethyl-9-naphthalen-2-ylbenzo[c]fluoren-5-yl)phenyl]-2-phenylbenzimidazole

1-[4-(7,7-dimethyl-9-naphthalen-2-ylbenzo[c]fluoren-5-yl)phenyl]-2-phenylbenzimidazole (PubChem CID 143828997) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 1-[4-(7,7-dimethyl-9-naphthalen-2-ylbenzo[c]fluoren-5-yl)phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[4-(7,7-dimethyl-9-naphthalen-2-ylbenzo[c]fluoren-5-yl)phenyl]-2-phenylbenzimidazole
PubChem CID143828997
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name1-[4-(7,7-dimethyl-9-naphthalen-2-ylbenzo[c]fluoren-5-yl)phenyl]-2-phenylbenzimidazole
SMILESCC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2c1cc(-c1ccc(-n3c(-c4ccccc4)nc4ccccc43)cc1)c1ccccc21
InChIInChI=1S/C48H34N2/c1-48(2)42-29-36(35-21-20-31-12-6-7-15-34(31)28-35)24-27-40(42)46-39-17-9-8-16-38(39)41(30-43(46)48)32-22-25-37(26-23-32)50-45-19-11-10-18-44(45)49-47(50)33-13-4-3-5-14-33/h3-30H,1-2H3
InChIKeyCLNMRUWHWODKLZ-UHFFFAOYSA-N
XLogP12.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828941
1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole
CID 90068469
2-(10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)-1-phenylbenzimidazole
CID 58412005
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
2-[4-[10,10-dimethyl-14,21-bis(4-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411779
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
1-[4-(5,8-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 177291197
1-[4-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-2-phenylbenzimidazole
CID 121431101
ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
CID 143828948
2-[3-(10,10-dimethyl-14,21-dinaphthalen-2-yl-17-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)phenyl]-1-phenylbenzimidazole
CID 58411952
2-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole
CID 169072068
2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7,7-dimethyl-9-naphthalen-2-ylbenzo[c]fluoren-5-yl)phenyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[4-(7,7-dimethyl-9-naphthalen-2-ylbenzo[c]fluoren-5-yl)phenyl]-2-phenylbenzimidazole (CID 143828997) is 1-[4-(7,7-dimethyl-9-naphthalen-2-ylbenzo[c]fluoren-5-yl)phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[4-(7,7-dimethyl-9-naphthalen-2-ylbenzo[c]fluoren-5-yl)phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[4-(7,7-dimethyl-9-naphthalen-2-ylbenzo[c]fluoren-5-yl)phenyl]-2-phenylbenzimidazole is CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2c1cc(-c1ccc(-n3c(-c4ccccc4)nc4ccccc43)cc1)c1ccccc21.
What is the InChIKey of 1-[4-(7,7-dimethyl-9-naphthalen-2-ylbenzo[c]fluoren-5-yl)phenyl]-2-phenylbenzimidazole?
The InChIKey is CLNMRUWHWODKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-48(2)42-29-36(35-21-20-31-12-6-7-15-34(31)28-35)24-27-40(42)46-39-17-9-8-16-38(39)41(30-43(46)48)32-22-25-37(26-23-32)50-45-19-11-10-18-44(45)49-47(50)33-13-4-3-5-14-33/h3-30H,1-2H3.
What are the key properties of 1-[4-(7,7-dimethyl-9-naphthalen-2-ylbenzo[c]fluoren-5-yl)phenyl]-2-phenylbenzimidazole?
1-[4-(7,7-dimethyl-9-naphthalen-2-ylbenzo[c]fluoren-5-yl)phenyl]-2-phenylbenzimidazole has a molecular weight of 638.81 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7,7-dimethyl-9-naphthalen-2-ylbenzo[c]fluoren-5-yl)phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 143828997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).