9-[10-(3-phenylphenyl)anthracen-9-yl]-7-propan-2-ylbenzo[c]carbazole

C45H33N — CID 176777720

IUPAC9-[10-(3-phenylphenyl)anthracen-9-yl]-7-propan-2-ylbenzo[c]carbazole
SMILESCC(C)n1c2cc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)ccc2c2c3ccccc3ccc21
InChIInChI=1S/C45H33N/c1-29(2)46-41-26-24-31-15-6-7-18-35(31)45(41)40-25-23-34(28-42(40)46)44-38-21-10-8-19-36(38)43(37-20-9-11-22-39(37)44)33-17-12-16-32(27-33)30-13-4-3-5-14-30/h3-29H,1-2H3
InChIKeyXBPSJXHUBTWMNS-UHFFFAOYSA-N
MW587.77 g/mol
LogP12.84
Rot. Bonds4

About 9-[10-(3-phenylphenyl)anthracen-9-yl]-7-propan-2-ylbenzo[c]carbazole

9-[10-(3-phenylphenyl)anthracen-9-yl]-7-propan-2-ylbenzo[c]carbazole (PubChem CID 176777720) has the molecular formula C45H33N and a molecular weight of 587.77 g/mol. Its IUPAC name is 9-[10-(3-phenylphenyl)anthracen-9-yl]-7-propan-2-ylbenzo[c]carbazole.

Molecular Properties

Compound Name9-[10-(3-phenylphenyl)anthracen-9-yl]-7-propan-2-ylbenzo[c]carbazole
PubChem CID176777720
Molecular FormulaC45H33N
Molecular Weight587.77 g/mol
Exact Mass587.26
IUPAC Name9-[10-(3-phenylphenyl)anthracen-9-yl]-7-propan-2-ylbenzo[c]carbazole
SMILESCC(C)n1c2cc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)ccc2c2c3ccccc3ccc21
InChIInChI=1S/C45H33N/c1-29(2)46-41-26-24-31-15-6-7-18-35(31)45(41)40-25-23-34(28-42(40)46)44-38-21-10-8-19-36(38)43(37-20-9-11-22-39(37)44)33-17-12-16-32(27-33)30-13-4-3-5-14-30/h3-29H,1-2H3
InChIKeyXBPSJXHUBTWMNS-UHFFFAOYSA-N
XLogP12.84
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 ≤ 512.84
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

7-[4-(10-phenylanthracen-9-yl)phenyl]-9-(9-phenylcarbazol-2-yl)benzo[c]carbazole;7-[4-(10-phenylanthracen-9-yl)phenyl]-9-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 158285865
5-(10-naphthalen-2-ylanthracen-9-yl)-2-(4-phenylphenyl)-1-propan-2-ylbenzimidazole
CID 59010693
7-naphthalen-2-yl-12-[4-(3-naphthalen-2-ylphenyl)phenyl]benzo[a]anthracene
CID 58535903
5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene
CID 123600813
16-(3-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene
CID 148871817
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
2,7-bis(3-phenylphenyl)benzo[c]phenanthrene
CID 140710635
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
12-[4-[10-phenyl-3-(4-phenylphenyl)anthracen-9-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130377435
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868

Frequently Asked Questions

What is the IUPAC name of 9-[10-(3-phenylphenyl)anthracen-9-yl]-7-propan-2-ylbenzo[c]carbazole?
The IUPAC name of 9-[10-(3-phenylphenyl)anthracen-9-yl]-7-propan-2-ylbenzo[c]carbazole (CID 176777720) is 9-[10-(3-phenylphenyl)anthracen-9-yl]-7-propan-2-ylbenzo[c]carbazole.
What is the SMILES notation for 9-[10-(3-phenylphenyl)anthracen-9-yl]-7-propan-2-ylbenzo[c]carbazole?
The canonical SMILES for 9-[10-(3-phenylphenyl)anthracen-9-yl]-7-propan-2-ylbenzo[c]carbazole is CC(C)n1c2cc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)ccc2c2c3ccccc3ccc21.
What is the InChIKey of 9-[10-(3-phenylphenyl)anthracen-9-yl]-7-propan-2-ylbenzo[c]carbazole?
The InChIKey is XBPSJXHUBTWMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N/c1-29(2)46-41-26-24-31-15-6-7-18-35(31)45(41)40-25-23-34(28-42(40)46)44-38-21-10-8-19-36(38)43(37-20-9-11-22-39(37)44)33-17-12-16-32(27-33)30-13-4-3-5-14-30/h3-29H,1-2H3.
What are the key properties of 9-[10-(3-phenylphenyl)anthracen-9-yl]-7-propan-2-ylbenzo[c]carbazole?
9-[10-(3-phenylphenyl)anthracen-9-yl]-7-propan-2-ylbenzo[c]carbazole has a molecular weight of 587.77 g/mol, XLogP of 12.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[10-(3-phenylphenyl)anthracen-9-yl]-7-propan-2-ylbenzo[c]carbazole is sourced from PubChem (CID 176777720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).