9-naphthalen-1-yl-3-[4-[(4-phenylphenyl)methyl]phenyl]-9H-fluorene

C42H30 — CID 123329963

IUPAC9-naphthalen-1-yl-3-[4-[(4-phenylphenyl)methyl]phenyl]-9H-fluorene
SMILESc1ccc(-c2ccc(Cc3ccc(-c4ccc5c(c4)-c4ccccc4C5c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C42H30/c1-2-9-31(10-3-1)32-21-17-29(18-22-32)27-30-19-23-33(24-20-30)35-25-26-40-41(28-35)37-14-6-7-15-39(37)42(40)38-16-8-12-34-11-4-5-13-36(34)38/h1-26,28,42H,27H2
InChIKeyYEGOPQQEOWIYQH-UHFFFAOYSA-N
MW534.70 g/mol
LogP10.93
Rot. Bonds5

About 9-naphthalen-1-yl-3-[4-[(4-phenylphenyl)methyl]phenyl]-9H-fluorene

9-naphthalen-1-yl-3-[4-[(4-phenylphenyl)methyl]phenyl]-9H-fluorene (PubChem CID 123329963) has the molecular formula C42H30 and a molecular weight of 534.70 g/mol. Its IUPAC name is 9-naphthalen-1-yl-3-[4-[(4-phenylphenyl)methyl]phenyl]-9H-fluorene.

Molecular Properties

Compound Name9-naphthalen-1-yl-3-[4-[(4-phenylphenyl)methyl]phenyl]-9H-fluorene
PubChem CID123329963
Molecular FormulaC42H30
Molecular Weight534.70 g/mol
Exact Mass534.23
IUPAC Name9-naphthalen-1-yl-3-[4-[(4-phenylphenyl)methyl]phenyl]-9H-fluorene
SMILESc1ccc(-c2ccc(Cc3ccc(-c4ccc5c(c4)-c4ccccc4C5c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C42H30/c1-2-9-31(10-3-1)32-21-17-29(18-22-32)27-30-19-23-33(24-20-30)35-25-26-40-41(28-35)37-14-6-7-15-39(37)42(40)38-16-8-12-34-11-4-5-13-36(34)38/h1-26,28,42H,27H2
InChIKeyYEGOPQQEOWIYQH-UHFFFAOYSA-N
XLogP10.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159713563
1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene
CID 164811988
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
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
3-[4-(9H-fluoren-9-yl)phenyl]-9-[4-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]phenyl]carbazole
CID 170064226
9-naphthalen-2-yl-5-(9-naphthalen-1-yl-9H-fluoren-3-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158152291
2-phenyl-9-[6-[(9S)-3-phenyl-9H-fluoren-9-yl]dibenzofuran-3-yl]-1,10-phenanthroline
CID 146335944
[2-(9H-fluoren-9-yl)naphthalen-1-yl]methanol;titanium(2+);dichloride
CID 87494961
1,4-bis(3-benzylphenyl)benzene
CID 175442136
9-[4-[4-[4-(9H-fluoren-9-yl)phenyl]-2-phenylphenyl]phenyl]-9H-fluorene
CID 58556035
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

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-3-[4-[(4-phenylphenyl)methyl]phenyl]-9H-fluorene?
The IUPAC name of 9-naphthalen-1-yl-3-[4-[(4-phenylphenyl)methyl]phenyl]-9H-fluorene (CID 123329963) is 9-naphthalen-1-yl-3-[4-[(4-phenylphenyl)methyl]phenyl]-9H-fluorene.
What is the SMILES notation for 9-naphthalen-1-yl-3-[4-[(4-phenylphenyl)methyl]phenyl]-9H-fluorene?
The canonical SMILES for 9-naphthalen-1-yl-3-[4-[(4-phenylphenyl)methyl]phenyl]-9H-fluorene is c1ccc(-c2ccc(Cc3ccc(-c4ccc5c(c4)-c4ccccc4C5c4cccc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 9-naphthalen-1-yl-3-[4-[(4-phenylphenyl)methyl]phenyl]-9H-fluorene?
The InChIKey is YEGOPQQEOWIYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30/c1-2-9-31(10-3-1)32-21-17-29(18-22-32)27-30-19-23-33(24-20-30)35-25-26-40-41(28-35)37-14-6-7-15-39(37)42(40)38-16-8-12-34-11-4-5-13-36(34)38/h1-26,28,42H,27H2.
What are the key properties of 9-naphthalen-1-yl-3-[4-[(4-phenylphenyl)methyl]phenyl]-9H-fluorene?
9-naphthalen-1-yl-3-[4-[(4-phenylphenyl)methyl]phenyl]-9H-fluorene has a molecular weight of 534.70 g/mol, XLogP of 10.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-3-[4-[(4-phenylphenyl)methyl]phenyl]-9H-fluorene is sourced from PubChem (CID 123329963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).