2-(7-benzo[c]phenanthren-2-yl-9,9-dimethylfluoren-2-yl)benzo[c]phenanthrene

C51H34 — CID 123543063

IUPAC2-(7-benzo[c]phenanthren-2-yl-9,9-dimethylfluoren-2-yl)benzo[c]phenanthrene
SMILESCC1(C)c2cc(-c3ccc4ccc5ccc6ccccc6c5c4c3)ccc2-c2ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc21
InChIInChI=1S/C51H34/c1-51(2)47-29-39(37-21-15-33-13-19-35-17-11-31-7-3-5-9-41(31)49(35)45(33)27-37)23-25-43(47)44-26-24-40(30-48(44)51)38-22-16-34-14-20-36-18-12-32-8-4-6-10-42(32)50(36)46(34)28-38/h3-30H,1-2H3
InChIKeyPLDNCJDRBCVGMI-UHFFFAOYSA-N
MW646.83 g/mol
LogP14.25
Rot. Bonds2

About 2-(7-benzo[c]phenanthren-2-yl-9,9-dimethylfluoren-2-yl)benzo[c]phenanthrene

2-(7-benzo[c]phenanthren-2-yl-9,9-dimethylfluoren-2-yl)benzo[c]phenanthrene (PubChem CID 123543063) has the molecular formula C51H34 and a molecular weight of 646.83 g/mol. Its IUPAC name is 2-(7-benzo[c]phenanthren-2-yl-9,9-dimethylfluoren-2-yl)benzo[c]phenanthrene.

Molecular Properties

Compound Name2-(7-benzo[c]phenanthren-2-yl-9,9-dimethylfluoren-2-yl)benzo[c]phenanthrene
PubChem CID123543063
Molecular FormulaC51H34
Molecular Weight646.83 g/mol
Exact Mass646.27
IUPAC Name2-(7-benzo[c]phenanthren-2-yl-9,9-dimethylfluoren-2-yl)benzo[c]phenanthrene
SMILESCC1(C)c2cc(-c3ccc4ccc5ccc6ccccc6c5c4c3)ccc2-c2ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc21
InChIInChI=1S/C51H34/c1-51(2)47-29-39(37-21-15-33-13-19-35-17-11-31-7-3-5-9-41(31)49(35)45(33)27-37)23-25-43(47)44-26-24-40(30-48(44)51)38-22-16-34-14-20-36-18-12-32-8-4-6-10-42(32)50(36)46(34)28-38/h3-30H,1-2H3
InChIKeyPLDNCJDRBCVGMI-UHFFFAOYSA-N
XLogP14.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.83
LogP ≤ 514.25
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

3-(7-chrysen-3-yl-9,9-dimethylfluoren-2-yl)perylene
CID 123741109
3-(9,9-dimethyl-7-phenanthren-2-ylfluoren-2-yl)chrysene
CID 123538339
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 140710800
3-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]chrysene
CID 123737415
5-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 58569078
5-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 58569070
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
tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)
CID 159354982
5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]benzo[c]phenanthrene
CID 58569538
21-(7-benzo[c]phenanthren-6-yl-9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 58569413
7-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 58569114
1-[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 123435588

Frequently Asked Questions

What is the IUPAC name of 2-(7-benzo[c]phenanthren-2-yl-9,9-dimethylfluoren-2-yl)benzo[c]phenanthrene?
The IUPAC name of 2-(7-benzo[c]phenanthren-2-yl-9,9-dimethylfluoren-2-yl)benzo[c]phenanthrene (CID 123543063) is 2-(7-benzo[c]phenanthren-2-yl-9,9-dimethylfluoren-2-yl)benzo[c]phenanthrene.
What is the SMILES notation for 2-(7-benzo[c]phenanthren-2-yl-9,9-dimethylfluoren-2-yl)benzo[c]phenanthrene?
The canonical SMILES for 2-(7-benzo[c]phenanthren-2-yl-9,9-dimethylfluoren-2-yl)benzo[c]phenanthrene is CC1(C)c2cc(-c3ccc4ccc5ccc6ccccc6c5c4c3)ccc2-c2ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc21.
What is the InChIKey of 2-(7-benzo[c]phenanthren-2-yl-9,9-dimethylfluoren-2-yl)benzo[c]phenanthrene?
The InChIKey is PLDNCJDRBCVGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34/c1-51(2)47-29-39(37-21-15-33-13-19-35-17-11-31-7-3-5-9-41(31)49(35)45(33)27-37)23-25-43(47)44-26-24-40(30-48(44)51)38-22-16-34-14-20-36-18-12-32-8-4-6-10-42(32)50(36)46(34)28-38/h3-30H,1-2H3.
What are the key properties of 2-(7-benzo[c]phenanthren-2-yl-9,9-dimethylfluoren-2-yl)benzo[c]phenanthrene?
2-(7-benzo[c]phenanthren-2-yl-9,9-dimethylfluoren-2-yl)benzo[c]phenanthrene has a molecular weight of 646.83 g/mol, XLogP of 14.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-benzo[c]phenanthren-2-yl-9,9-dimethylfluoren-2-yl)benzo[c]phenanthrene is sourced from PubChem (CID 123543063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).