3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene

C55H36 — CID 58569600

IUPAC3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
SMILESCC1(C)c2cc(-c3cccc4c(-c5ccc6c7c(cccc57)-c5ccccc5-6)cccc34)ccc2-c2ccc(-c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C55H36/c1-55(2)52-31-34(24-26-46(52)47-27-25-35(32-53(47)55)51-30-33-12-3-4-13-36(33)38-14-5-8-17-44(38)51)37-18-9-20-40-39(37)19-10-21-41(40)45-28-29-50-43-16-7-6-15-42(43)48-22-11-23-49(45)54(48)50/h3-32H,1-2H3
InChIKeyKZIYGQCRDKCQRM-UHFFFAOYSA-N
MW696.89 g/mol
LogP15.25
Rot. Bonds3

About 3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene

3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene (PubChem CID 58569600) has the molecular formula C55H36 and a molecular weight of 696.89 g/mol. Its IUPAC name is 3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene.

Molecular Properties

Compound Name3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
PubChem CID58569600
Molecular FormulaC55H36
Molecular Weight696.89 g/mol
Exact Mass696.28
IUPAC Name3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
SMILESCC1(C)c2cc(-c3cccc4c(-c5ccc6c7c(cccc57)-c5ccccc5-6)cccc34)ccc2-c2ccc(-c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C55H36/c1-55(2)52-31-34(24-26-46(52)47-27-25-35(32-53(47)55)51-30-33-12-3-4-13-36(33)38-14-5-8-17-44(38)51)37-18-9-20-40-39(37)19-10-21-41(40)45-28-29-50-43-16-7-6-15-42(43)48-22-11-23-49(45)54(48)50/h3-32H,1-2H3
InChIKeyKZIYGQCRDKCQRM-UHFFFAOYSA-N
XLogP15.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.89
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569543
9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene
CID 58883838
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-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569073
12-(7-fluoranthen-3-yl-9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 58569298
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
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene
CID 58569211
3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569433
9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene
CID 58881017
9-[7-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]phenanthrene
CID 58569626
3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene
CID 123377158
3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene
CID 58569056

Frequently Asked Questions

What is the IUPAC name of 3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene?
The IUPAC name of 3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene (CID 58569600) is 3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene.
What is the SMILES notation for 3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene?
The canonical SMILES for 3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene is CC1(C)c2cc(-c3cccc4c(-c5ccc6c7c(cccc57)-c5ccccc5-6)cccc34)ccc2-c2ccc(-c3cc4ccccc4c4ccccc34)cc21.
What is the InChIKey of 3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene?
The InChIKey is KZIYGQCRDKCQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36/c1-55(2)52-31-34(24-26-46(52)47-27-25-35(32-53(47)55)51-30-33-12-3-4-13-36(33)38-14-5-8-17-44(38)51)37-18-9-20-40-39(37)19-10-21-41(40)45-28-29-50-43-16-7-6-15-42(43)48-22-11-23-49(45)54(48)50/h3-32H,1-2H3.
What are the key properties of 3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene?
3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene has a molecular weight of 696.89 g/mol, XLogP of 15.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene is sourced from PubChem (CID 58569600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).