9-[4-(10-naphthalen-1-yl-2-propan-2-ylanthracen-9-yl)phenyl]carbazole

C45H33N — CID 143920796

IUPAC9-[4-(10-naphthalen-1-yl-2-propan-2-ylanthracen-9-yl)phenyl]carbazole
SMILESCC(C)c1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2c1
InChIInChI=1S/C45H33N/c1-29(2)32-24-27-40-41(28-32)44(38-17-5-6-18-39(38)45(40)37-19-11-13-30-12-3-4-14-34(30)37)31-22-25-33(26-23-31)46-42-20-9-7-15-35(42)36-16-8-10-21-43(36)46/h3-29H,1-2H3
InChIKeyYIWMMOXUZYLGCJ-UHFFFAOYSA-N
MW587.77 g/mol
LogP12.70
Rot. Bonds4

About 9-[4-(10-naphthalen-1-yl-2-propan-2-ylanthracen-9-yl)phenyl]carbazole

9-[4-(10-naphthalen-1-yl-2-propan-2-ylanthracen-9-yl)phenyl]carbazole (PubChem CID 143920796) has the molecular formula C45H33N and a molecular weight of 587.77 g/mol. Its IUPAC name is 9-[4-(10-naphthalen-1-yl-2-propan-2-ylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(10-naphthalen-1-yl-2-propan-2-ylanthracen-9-yl)phenyl]carbazole
PubChem CID143920796
Molecular FormulaC45H33N
Molecular Weight587.77 g/mol
Exact Mass587.26
IUPAC Name9-[4-(10-naphthalen-1-yl-2-propan-2-ylanthracen-9-yl)phenyl]carbazole
SMILESCC(C)c1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2c1
InChIInChI=1S/C45H33N/c1-29(2)32-24-27-40-41(28-32)44(38-17-5-6-18-39(38)45(40)37-19-11-13-30-12-3-4-14-34(30)37)31-22-25-33(26-23-31)46-42-20-9-7-15-35(42)36-16-8-10-21-43(36)46/h3-29H,1-2H3
InChIKeyYIWMMOXUZYLGCJ-UHFFFAOYSA-N
XLogP12.70
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.77
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene
CID 160576501
3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole
CID 163845433
9-[6-carbazol-9-yl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracen-2-yl]carbazole
CID 59219883
9-[4-(10-anthracen-2-yl-3-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole
CID 130377387
9-naphthalen-1-yl-10-phenanthren-9-yl-2,6-di(propan-2-yl)anthracene
CID 171415308
12-(4-naphthalen-1-ylphenyl)-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene;9-[4-(12-phenylbenzo[a]anthracen-7-yl)phenyl]carbazole;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 161280672
5-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 147372966
9-(6-carbazol-9-yl-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)carbazole
CID 59220010
12-[4-(10-phenylanthracen-9-yl)phenyl]-5-propan-2-yl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 129086389
3,6-dinaphthalen-1-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;3,6-dinaphthalen-2-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole
CID 161091193
11-naphthalen-2-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-b]carbazole
CID 167029703
9-[4-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-(10-phenylanthracen-9-yl)carbazole
CID 160550908

Frequently Asked Questions

What is the IUPAC name of 9-[4-(10-naphthalen-1-yl-2-propan-2-ylanthracen-9-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(10-naphthalen-1-yl-2-propan-2-ylanthracen-9-yl)phenyl]carbazole (CID 143920796) is 9-[4-(10-naphthalen-1-yl-2-propan-2-ylanthracen-9-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(10-naphthalen-1-yl-2-propan-2-ylanthracen-9-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(10-naphthalen-1-yl-2-propan-2-ylanthracen-9-yl)phenyl]carbazole is CC(C)c1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2c1.
What is the InChIKey of 9-[4-(10-naphthalen-1-yl-2-propan-2-ylanthracen-9-yl)phenyl]carbazole?
The InChIKey is YIWMMOXUZYLGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N/c1-29(2)32-24-27-40-41(28-32)44(38-17-5-6-18-39(38)45(40)37-19-11-13-30-12-3-4-14-34(30)37)31-22-25-33(26-23-31)46-42-20-9-7-15-35(42)36-16-8-10-21-43(36)46/h3-29H,1-2H3.
What are the key properties of 9-[4-(10-naphthalen-1-yl-2-propan-2-ylanthracen-9-yl)phenyl]carbazole?
9-[4-(10-naphthalen-1-yl-2-propan-2-ylanthracen-9-yl)phenyl]carbazole has a molecular weight of 587.77 g/mol, XLogP of 12.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(10-naphthalen-1-yl-2-propan-2-ylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 143920796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).