6,12-dimethyl-6,12-diphenyl-3-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene

C54H38 — CID 157142907

IUPAC6,12-dimethyl-6,12-diphenyl-3-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene
SMILESCC1(c2ccccc2)c2ccccc2-c2cc3c(cc21)-c1cc(-c2c4ccccc4c(-c4ccccc4)c4ccccc24)ccc1C3(C)c1ccccc1
InChIInChI=1S/C54H38/c1-53(37-20-8-4-9-21-37)47-29-17-16-24-39(47)45-33-50-46(34-49(45)53)44-32-36(30-31-48(44)54(50,2)38-22-10-5-11-23-38)52-42-27-14-12-25-40(42)51(35-18-6-3-7-19-35)41-26-13-15-28-43(41)52/h3-34H,1-2H3
InChIKeyBGKCGFDSRYWPTC-UHFFFAOYSA-N
MW686.90 g/mol
LogP14.00
Rot. Bonds4

About 6,12-dimethyl-6,12-diphenyl-3-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene

6,12-dimethyl-6,12-diphenyl-3-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene (PubChem CID 157142907) has the molecular formula C54H38 and a molecular weight of 686.90 g/mol. Its IUPAC name is 6,12-dimethyl-6,12-diphenyl-3-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene.

Molecular Properties

Compound Name6,12-dimethyl-6,12-diphenyl-3-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene
PubChem CID157142907
Molecular FormulaC54H38
Molecular Weight686.90 g/mol
Exact Mass686.30
IUPAC Name6,12-dimethyl-6,12-diphenyl-3-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene
SMILESCC1(c2ccccc2)c2ccccc2-c2cc3c(cc21)-c1cc(-c2c4ccccc4c(-c4ccccc4)c4ccccc24)ccc1C3(C)c1ccccc1
InChIInChI=1S/C54H38/c1-53(37-20-8-4-9-21-37)47-29-17-16-24-39(47)45-33-50-46(34-49(45)53)44-32-36(30-31-48(44)54(50,2)38-22-10-5-11-23-38)52-42-27-14-12-25-40(42)51(35-18-6-3-7-19-35)41-26-13-15-28-43(41)52/h3-34H,1-2H3
InChIKeyBGKCGFDSRYWPTC-UHFFFAOYSA-N
XLogP14.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.90
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

12,26-dimethyl-2,12,16,26-tetraphenylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6,8,10,14,16,18,20,22,24,27-tridecaene
CID 58142476
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
N,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine
CID 171453114
9-(9,9-dipropylfluoren-2-yl)-10-[9-methyl-7-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-yl]anthracene
CID 58782779
9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene
CID 171447304
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N,9-diphenylfluoren-3-amine
CID 169063655
N-(9-methyl-9-phenylfluoren-2-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 169062785
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9-methyl-9-phenylfluoren-3-amine
CID 169064747
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 169062793
9-[3-(9,9-dimethylfluoren-3-yl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140784212
N-(3,5-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,10-diphenylphenanthren-2-amine
CID 169063795
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270

Frequently Asked Questions

What is the IUPAC name of 6,12-dimethyl-6,12-diphenyl-3-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene?
The IUPAC name of 6,12-dimethyl-6,12-diphenyl-3-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene (CID 157142907) is 6,12-dimethyl-6,12-diphenyl-3-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene.
What is the SMILES notation for 6,12-dimethyl-6,12-diphenyl-3-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene?
The canonical SMILES for 6,12-dimethyl-6,12-diphenyl-3-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene is CC1(c2ccccc2)c2ccccc2-c2cc3c(cc21)-c1cc(-c2c4ccccc4c(-c4ccccc4)c4ccccc24)ccc1C3(C)c1ccccc1.
What is the InChIKey of 6,12-dimethyl-6,12-diphenyl-3-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene?
The InChIKey is BGKCGFDSRYWPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38/c1-53(37-20-8-4-9-21-37)47-29-17-16-24-39(47)45-33-50-46(34-49(45)53)44-32-36(30-31-48(44)54(50,2)38-22-10-5-11-23-38)52-42-27-14-12-25-40(42)51(35-18-6-3-7-19-35)41-26-13-15-28-43(41)52/h3-34H,1-2H3.
What are the key properties of 6,12-dimethyl-6,12-diphenyl-3-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene?
6,12-dimethyl-6,12-diphenyl-3-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene has a molecular weight of 686.90 g/mol, XLogP of 14.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-dimethyl-6,12-diphenyl-3-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene is sourced from PubChem (CID 157142907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).