8-[3-(10-phenylanthracen-9-yl)phenyl]-4,11-dihydro-3H-benzo[a]carbazole

C42H29N — CID 144703463

IUPAC8-[3-(10-phenylanthracen-9-yl)phenyl]-4,11-dihydro-3H-benzo[a]carbazole
SMILESC1=Cc2c(ccc3c2[nH]c2ccc(-c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)cc23)CC1
InChIInChI=1S/C42H29N/c1-2-12-28(13-3-1)40-33-17-6-8-19-35(33)41(36-20-9-7-18-34(36)40)31-15-10-14-29(25-31)30-22-24-39-38(26-30)37-23-21-27-11-4-5-16-32(27)42(37)43-39/h1-3,5-10,12-26,43H,4,11H2
InChIKeyQDENPSJPUUDMPZ-UHFFFAOYSA-N
MW547.70 g/mol
LogP11.59
Rot. Bonds3

About 8-[3-(10-phenylanthracen-9-yl)phenyl]-4,11-dihydro-3H-benzo[a]carbazole

8-[3-(10-phenylanthracen-9-yl)phenyl]-4,11-dihydro-3H-benzo[a]carbazole (PubChem CID 144703463) has the molecular formula C42H29N and a molecular weight of 547.70 g/mol. Its IUPAC name is 8-[3-(10-phenylanthracen-9-yl)phenyl]-4,11-dihydro-3H-benzo[a]carbazole.

Molecular Properties

Compound Name8-[3-(10-phenylanthracen-9-yl)phenyl]-4,11-dihydro-3H-benzo[a]carbazole
PubChem CID144703463
Molecular FormulaC42H29N
Molecular Weight547.70 g/mol
Exact Mass547.23
IUPAC Name8-[3-(10-phenylanthracen-9-yl)phenyl]-4,11-dihydro-3H-benzo[a]carbazole
SMILESC1=Cc2c(ccc3c2[nH]c2ccc(-c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)cc23)CC1
InChIInChI=1S/C42H29N/c1-2-12-28(13-3-1)40-33-17-6-8-19-35(33)41(36-20-9-7-18-34(36)40)31-15-10-14-29(25-31)30-22-24-39-38(26-30)37-23-21-27-11-4-5-16-32(27)42(37)43-39/h1-3,5-10,12-26,43H,4,11H2
InChIKeyQDENPSJPUUDMPZ-UHFFFAOYSA-N
XLogP11.59
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.70
LogP ≤ 511.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene
CID 168993984
2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene
CID 59766384
8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole
CID 90433601
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
9-[4-methyl-3-(3-methyl-5,6-dihydronaphthalen-2-yl)phenyl]-10-(3-phenylphenyl)anthracene
CID 144703495
18-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 90433283
1-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-9H-carbazole
CID 129197677
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
2-[10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 155714690
9-[3-(10-phenylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole
CID 90433739
2-[10-(4-phenylphenyl)anthracen-9-yl]-5H-benzo[b]carbazole
CID 90433276

Frequently Asked Questions

What is the IUPAC name of 8-[3-(10-phenylanthracen-9-yl)phenyl]-4,11-dihydro-3H-benzo[a]carbazole?
The IUPAC name of 8-[3-(10-phenylanthracen-9-yl)phenyl]-4,11-dihydro-3H-benzo[a]carbazole (CID 144703463) is 8-[3-(10-phenylanthracen-9-yl)phenyl]-4,11-dihydro-3H-benzo[a]carbazole.
What is the SMILES notation for 8-[3-(10-phenylanthracen-9-yl)phenyl]-4,11-dihydro-3H-benzo[a]carbazole?
The canonical SMILES for 8-[3-(10-phenylanthracen-9-yl)phenyl]-4,11-dihydro-3H-benzo[a]carbazole is C1=Cc2c(ccc3c2[nH]c2ccc(-c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)cc23)CC1.
What is the InChIKey of 8-[3-(10-phenylanthracen-9-yl)phenyl]-4,11-dihydro-3H-benzo[a]carbazole?
The InChIKey is QDENPSJPUUDMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N/c1-2-12-28(13-3-1)40-33-17-6-8-19-35(33)41(36-20-9-7-18-34(36)40)31-15-10-14-29(25-31)30-22-24-39-38(26-30)37-23-21-27-11-4-5-16-32(27)42(37)43-39/h1-3,5-10,12-26,43H,4,11H2.
What are the key properties of 8-[3-(10-phenylanthracen-9-yl)phenyl]-4,11-dihydro-3H-benzo[a]carbazole?
8-[3-(10-phenylanthracen-9-yl)phenyl]-4,11-dihydro-3H-benzo[a]carbazole has a molecular weight of 547.70 g/mol, XLogP of 11.59, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(10-phenylanthracen-9-yl)phenyl]-4,11-dihydro-3H-benzo[a]carbazole is sourced from PubChem (CID 144703463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).