8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene

C43H30 — CID 59282369

IUPAC8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene
SMILESCC1(C)c2ccccc2-c2cc(-c3cc4cc(-c5cccc6ccccc56)c5ccccc5c4c4ccccc34)ccc21
InChIInChI=1S/C43H30/c1-43(2)40-21-10-9-17-34(40)39-24-28(22-23-41(39)43)37-25-29-26-38(31-20-11-13-27-12-3-4-14-30(27)31)33-16-6-8-19-36(33)42(29)35-18-7-5-15-32(35)37/h3-26H,1-2H3
InChIKeyLQMORERDIGKDHH-UHFFFAOYSA-N
MW546.71 g/mol
LogP11.94
Rot. Bonds2

About 8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene

8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene (PubChem CID 59282369) has the molecular formula C43H30 and a molecular weight of 546.71 g/mol. Its IUPAC name is 8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene.

Molecular Properties

Compound Name8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene
PubChem CID59282369
Molecular FormulaC43H30
Molecular Weight546.71 g/mol
Exact Mass546.23
IUPAC Name8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene
SMILESCC1(C)c2ccccc2-c2cc(-c3cc4cc(-c5cccc6ccccc56)c5ccccc5c4c4ccccc34)ccc21
InChIInChI=1S/C43H30/c1-43(2)40-21-10-9-17-34(40)39-24-28(22-23-41(39)43)37-25-29-26-38(31-20-11-13-27-12-3-4-14-30(27)31)33-16-6-8-19-36(33)42(29)35-18-7-5-15-32(35)37/h3-26H,1-2H3
InChIKeyLQMORERDIGKDHH-UHFFFAOYSA-N
XLogP11.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-(9,9-dimethylfluoren-3-yl)benzo[c]phenanthrene
CID 140710652
5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282310
5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]benzo[c]phenanthrene
CID 58569538
9-(9,9-dimethylfluoren-2-yl)-15-[4-(12,12-dimethyl-15-naphthalen-1-yl-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)phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479669
9,9-dimethyl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N,N-diphenylfluoren-2-amine
CID 59282514
5-[4-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzo[c]phenanthrene;5-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]benzo[c]phenanthrene;5-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzo[c]phenanthrene;5-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]benzo[c]phenanthrene;5-[7-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzo[c]phenanthrene;5-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]benzo[c]phenanthrene;5-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene
CID 159950720
2-(9,9-dimethylfluoren-2-yl)-7-[7-[9,9-dimethyl-7-(2-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881021
5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene
CID 158517485
5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene
CID 160621159
9,9-dimethyl-N-naphthalen-1-yl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N-phenylfluoren-2-amine
CID 59282086
8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282122
8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-naphthalen-2-ylbenzo[c]phenanthrene
CID 59282421

Frequently Asked Questions

What is the IUPAC name of 8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene?
The IUPAC name of 8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene (CID 59282369) is 8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene.
What is the SMILES notation for 8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene?
The canonical SMILES for 8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene is CC1(C)c2ccccc2-c2cc(-c3cc4cc(-c5cccc6ccccc56)c5ccccc5c4c4ccccc34)ccc21.
What is the InChIKey of 8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene?
The InChIKey is LQMORERDIGKDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30/c1-43(2)40-21-10-9-17-34(40)39-24-28(22-23-41(39)43)37-25-29-26-38(31-20-11-13-27-12-3-4-14-30(27)31)33-16-6-8-19-36(33)42(29)35-18-7-5-15-32(35)37/h3-26H,1-2H3.
What are the key properties of 8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene?
8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene has a molecular weight of 546.71 g/mol, XLogP of 11.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene is sourced from PubChem (CID 59282369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).