9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene

C43H30 — CID 58883838

IUPAC9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene
SMILESCC1(C)c2cc(-c3cc4ccccc4c4ccccc34)ccc2-c2ccc(-c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C43H30/c1-43(2)41-25-29(39-23-27-11-3-5-13-31(27)33-15-7-9-17-35(33)39)19-21-37(41)38-22-20-30(26-42(38)43)40-24-28-12-4-6-14-32(28)34-16-8-10-18-36(34)40/h3-26H,1-2H3
InChIKeyBIUQBEVGMKBTQM-UHFFFAOYSA-N
MW546.71 g/mol
LogP11.94
Rot. Bonds2

About 9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene

9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene (PubChem CID 58883838) has the molecular formula C43H30 and a molecular weight of 546.71 g/mol. Its IUPAC name is 9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene.

Molecular Properties

Compound Name9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene
PubChem CID58883838
Molecular FormulaC43H30
Molecular Weight546.71 g/mol
Exact Mass546.23
IUPAC Name9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene
SMILESCC1(C)c2cc(-c3cc4ccccc4c4ccccc34)ccc2-c2ccc(-c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C43H30/c1-43(2)41-25-29(39-23-27-11-3-5-13-31(27)33-15-7-9-17-35(33)39)19-21-37(41)38-22-20-30(26-42(38)43)40-24-28-12-4-6-14-32(28)34-16-8-10-18-36(34)40/h3-26H,1-2H3
InChIKeyBIUQBEVGMKBTQM-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

9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene
CID 58881017
9-[7-[9,9-dimethyl-7-(7-phenanthren-9-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]phenanthrene
CID 58569088
9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene
CID 143227241
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene
CID 58569211
6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene
CID 58569084
9-[7-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]phenanthrene
CID 58569626
3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569600
9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]phenanthrene
CID 58569461
N-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 58050464
7-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 58569418
3-[3-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569543
9-[6-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 58569125

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene?
The IUPAC name of 9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene (CID 58883838) is 9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene.
What is the SMILES notation for 9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene?
The canonical SMILES for 9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene is CC1(C)c2cc(-c3cc4ccccc4c4ccccc34)ccc2-c2ccc(-c3cc4ccccc4c4ccccc34)cc21.
What is the InChIKey of 9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene?
The InChIKey is BIUQBEVGMKBTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30/c1-43(2)41-25-29(39-23-27-11-3-5-13-31(27)33-15-7-9-17-35(33)39)19-21-37(41)38-22-20-30(26-42(38)43)40-24-28-12-4-6-14-32(28)34-16-8-10-18-36(34)40/h3-26H,1-2H3.
What are the key properties of 9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene?
9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)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 9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene is sourced from PubChem (CID 58883838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).