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

C43H30 — CID 59282310

IUPAC5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene
SMILESCC1(C)c2ccccc2-c2cccc(-c3cc4cc(-c5cccc6ccccc56)c5ccccc5c4c4ccccc34)c21
InChIInChI=1S/C43H30/c1-43(2)40-24-10-9-18-33(40)36-22-12-23-37(42(36)43)39-26-28-25-38(30-21-11-14-27-13-3-4-15-29(27)30)31-16-5-7-19-34(31)41(28)35-20-8-6-17-32(35)39/h3-26H,1-2H3
InChIKeyARYVHIJVISLYSR-UHFFFAOYSA-N
MW546.71 g/mol
LogP11.94
Rot. Bonds2

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

5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene (PubChem CID 59282310) has the molecular formula C43H30 and a molecular weight of 546.71 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene.

Molecular Properties

Compound Name5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene
PubChem CID59282310
Molecular FormulaC43H30
Molecular Weight546.71 g/mol
Exact Mass546.23
IUPAC Name5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene
SMILESCC1(C)c2ccccc2-c2cccc(-c3cc4cc(-c5cccc6ccccc56)c5ccccc5c4c4ccccc34)c21
InChIInChI=1S/C43H30/c1-43(2)40-24-10-9-18-33(40)36-22-12-23-37(42(36)43)39-26-28-25-38(30-21-11-14-27-13-3-4-15-29(27)30)31-16-5-7-19-34(31)41(28)35-20-8-6-17-32(35)39/h3-26H,1-2H3
InChIKeyARYVHIJVISLYSR-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-1-yl)benzo[c]phenanthrene
CID 140710620
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282369
5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]benzo[c]phenanthrene
CID 58569538
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
19,19-dimethyl-7-naphthalen-1-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),12,14,17-nonaene
CID 171742619
11,11-dimethyl-1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene
CID 140724884
3,10-bis(9,9-dimethylfluoren-2-yl)-19-naphthalen-1-ylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
CID 58454251
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167234954
8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282122
10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene
CID 160577000
9,9-dimethyl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N,N-diphenylfluoren-2-amine
CID 59282514

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene?
The IUPAC name of 5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene (CID 59282310) is 5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene.
What is the SMILES notation for 5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene?
The canonical SMILES for 5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene is CC1(C)c2ccccc2-c2cccc(-c3cc4cc(-c5cccc6ccccc56)c5ccccc5c4c4ccccc34)c21.
What is the InChIKey of 5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene?
The InChIKey is ARYVHIJVISLYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30/c1-43(2)40-24-10-9-18-33(40)36-22-12-23-37(42(36)43)39-26-28-25-38(30-21-11-14-27-13-3-4-15-29(27)30)31-16-5-7-19-34(31)41(28)35-20-8-6-17-32(35)39/h3-26H,1-2H3.
What are the key properties of 5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene?
5-(9,9-dimethylfluoren-1-yl)-8-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 5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene is sourced from PubChem (CID 59282310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).