3-(12-phenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)-1-(4-phenylphenyl)isoquinoline

C47H31N — CID 126753332

IUPAC3-(12-phenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)-1-(4-phenylphenyl)isoquinoline
SMILESc1ccc(-c2ccc(-c3nc(C4c5ccccc5-c5cc6c(cc54)C(c4ccccc4)c4ccccc4-6)cc4ccccc34)cc2)cc1
InChIInChI=1S/C47H31N/c1-3-13-30(14-4-1)31-23-25-33(26-24-31)47-35-18-8-7-17-34(35)27-44(48-47)46-39-22-12-10-20-37(39)41-28-40-36-19-9-11-21-38(36)45(42(40)29-43(41)46)32-15-5-2-6-16-32/h1-29,45-46H
InChIKeyBUAKJTQMBIFQLW-UHFFFAOYSA-N
MW609.77 g/mol
LogP11.89
Rot. Bonds4

About 3-(12-phenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)-1-(4-phenylphenyl)isoquinoline

3-(12-phenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)-1-(4-phenylphenyl)isoquinoline (PubChem CID 126753332) has the molecular formula C47H31N and a molecular weight of 609.77 g/mol. Its IUPAC name is 3-(12-phenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)-1-(4-phenylphenyl)isoquinoline.

Molecular Properties

Compound Name3-(12-phenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)-1-(4-phenylphenyl)isoquinoline
PubChem CID126753332
Molecular FormulaC47H31N
Molecular Weight609.77 g/mol
Exact Mass609.25
IUPAC Name3-(12-phenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)-1-(4-phenylphenyl)isoquinoline
SMILESc1ccc(-c2ccc(-c3nc(C4c5ccccc5-c5cc6c(cc54)C(c4ccccc4)c4ccccc4-6)cc4ccccc34)cc2)cc1
InChIInChI=1S/C47H31N/c1-3-13-30(14-4-1)31-23-25-33(26-24-31)47-35-18-8-7-17-34(35)27-44(48-47)46-39-22-12-10-20-37(39)41-28-40-36-19-9-11-21-38(36)45(42(40)29-43(41)46)32-15-5-2-6-16-32/h1-29,45-46H
InChIKeyBUAKJTQMBIFQLW-UHFFFAOYSA-N
XLogP11.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.77
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 159880784
10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene
CID 158775049
3-[7-(2,7-diphenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1-(4-phenylphenyl)isoquinoline
CID 146337586
2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaenyl)naphthalen-1-yl]-1,3,5-triazine
CID 156512694
9-phenyl-9H-fluorene
CID 13091
2-[3-(7,12-diphenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyridine;2-[3-(11,12-diphenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyridine;10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene
CID 158775048
9-[4-[3-[4-(9H-fluoren-9-yl)phenyl]-5-naphthalen-1-ylphenyl]phenyl]-9H-fluorene
CID 58556083
9-[4-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]phenyl]-9H-fluorene
CID 58556073
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine
CID 129265016
7-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenyl-7H-indeno[2,1-b]carbazole
CID 126753657
9-[4-[4-[4-(9H-fluoren-9-yl)phenyl]-2-phenylphenyl]phenyl]-9H-fluorene
CID 58556035
9-[4-[4-[4-(9H-fluoren-9-yl)-2-phenylphenyl]phenyl]phenyl]-9H-fluorene
CID 58556038

Frequently Asked Questions

What is the IUPAC name of 3-(12-phenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)-1-(4-phenylphenyl)isoquinoline?
The IUPAC name of 3-(12-phenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)-1-(4-phenylphenyl)isoquinoline (CID 126753332) is 3-(12-phenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)-1-(4-phenylphenyl)isoquinoline.
What is the SMILES notation for 3-(12-phenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)-1-(4-phenylphenyl)isoquinoline?
The canonical SMILES for 3-(12-phenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)-1-(4-phenylphenyl)isoquinoline is c1ccc(-c2ccc(-c3nc(C4c5ccccc5-c5cc6c(cc54)C(c4ccccc4)c4ccccc4-6)cc4ccccc34)cc2)cc1.
What is the InChIKey of 3-(12-phenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)-1-(4-phenylphenyl)isoquinoline?
The InChIKey is BUAKJTQMBIFQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N/c1-3-13-30(14-4-1)31-23-25-33(26-24-31)47-35-18-8-7-17-34(35)27-44(48-47)46-39-22-12-10-20-37(39)41-28-40-36-19-9-11-21-38(36)45(42(40)29-43(41)46)32-15-5-2-6-16-32/h1-29,45-46H.
What are the key properties of 3-(12-phenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)-1-(4-phenylphenyl)isoquinoline?
3-(12-phenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)-1-(4-phenylphenyl)isoquinoline has a molecular weight of 609.77 g/mol, XLogP of 11.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(12-phenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)-1-(4-phenylphenyl)isoquinoline is sourced from PubChem (CID 126753332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).