(3Z)-penta-1,3-diene;5-phenyl-3-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]benzo[b]carbazole

C52H38N2 — CID 142353409

IUPAC(3Z)-penta-1,3-diene;5-phenyl-3-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]benzo[b]carbazole
SMILESC=C/C=C\C.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c6cc7ccccc7cc6n(-c6ccccc6)c5c4)nc3)c3ccccc23)cc1
InChIInChI=1S/C47H30N2.C5H8/c1-3-13-31(14-4-1)46-38-19-9-11-21-40(38)47(41-22-12-10-20-39(41)46)35-24-26-43(48-30-35)34-23-25-37-42-27-32-15-7-8-16-33(32)28-45(42)49(44(37)29-34)36-17-5-2-6-18-36;1-3-5-4-2/h1-30H;3-5H,1H2,2H3/b;5-4-
InChIKeyYCWXKCVDPYUPAR-GUHKXDMSSA-N
MW690.89 g/mol
LogP14.39
Rot. Bonds5

About (3Z)-penta-1,3-diene;5-phenyl-3-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]benzo[b]carbazole

(3Z)-penta-1,3-diene;5-phenyl-3-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]benzo[b]carbazole (PubChem CID 142353409) has the molecular formula C52H38N2 and a molecular weight of 690.89 g/mol. Its IUPAC name is (3Z)-penta-1,3-diene;5-phenyl-3-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]benzo[b]carbazole.

Molecular Properties

Compound Name(3Z)-penta-1,3-diene;5-phenyl-3-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]benzo[b]carbazole
PubChem CID142353409
Molecular FormulaC52H38N2
Molecular Weight690.89 g/mol
Exact Mass690.30
IUPAC Name(3Z)-penta-1,3-diene;5-phenyl-3-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]benzo[b]carbazole
SMILESC=C/C=C\C.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c6cc7ccccc7cc6n(-c6ccccc6)c5c4)nc3)c3ccccc23)cc1
InChIInChI=1S/C47H30N2.C5H8/c1-3-13-31(14-4-1)46-38-19-9-11-21-40(38)47(41-22-12-10-20-39(41)46)35-24-26-43(48-30-35)34-23-25-37-42-27-32-15-7-8-16-33(32)28-45(42)49(44(37)29-34)36-17-5-2-6-18-36;1-3-5-4-2/h1-30H;3-5H,1H2,2H3/b;5-4-
InChIKeyYCWXKCVDPYUPAR-GUHKXDMSSA-N
XLogP14.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.89
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole
CID 134531069
5-phenyl-3-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]benzo[b]carbazole
CID 153144473
9-phenyl-2-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]carbazole
CID 147817509
(3Z)-penta-1,3-diene;18-phenyl-10-(6-phenyl-3-pyridinyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene;prop-1-ene
CID 144645043
5-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 153314337
9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole
CID 56943928
2-naphtho[2,3-b][1]benzothiol-3-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 142353458
8-[9-methyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;(3Z)-penta-1,3-diene
CID 144919690
9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene
CID 144919850
9-[4-[10-(4-isoquinolin-3-ylphenyl)anthracen-9-yl]phenyl]carbazole
CID 90249684
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621945

Frequently Asked Questions

What is the IUPAC name of (3Z)-penta-1,3-diene;5-phenyl-3-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]benzo[b]carbazole?
The IUPAC name of (3Z)-penta-1,3-diene;5-phenyl-3-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]benzo[b]carbazole (CID 142353409) is (3Z)-penta-1,3-diene;5-phenyl-3-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]benzo[b]carbazole.
What is the SMILES notation for (3Z)-penta-1,3-diene;5-phenyl-3-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]benzo[b]carbazole?
The canonical SMILES for (3Z)-penta-1,3-diene;5-phenyl-3-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]benzo[b]carbazole is C=C/C=C\C.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c6cc7ccccc7cc6n(-c6ccccc6)c5c4)nc3)c3ccccc23)cc1.
What is the InChIKey of (3Z)-penta-1,3-diene;5-phenyl-3-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]benzo[b]carbazole?
The InChIKey is YCWXKCVDPYUPAR-GUHKXDMSSA-N. The full InChI is InChI=1S/C47H30N2.C5H8/c1-3-13-31(14-4-1)46-38-19-9-11-21-40(38)47(41-22-12-10-20-39(41)46)35-24-26-43(48-30-35)34-23-25-37-42-27-32-15-7-8-16-33(32)28-45(42)49(44(37)29-34)36-17-5-2-6-18-36;1-3-5-4-2/h1-30H;3-5H,1H2,2H3/b;5-4-.
What are the key properties of (3Z)-penta-1,3-diene;5-phenyl-3-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]benzo[b]carbazole?
(3Z)-penta-1,3-diene;5-phenyl-3-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]benzo[b]carbazole has a molecular weight of 690.89 g/mol, XLogP of 14.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-penta-1,3-diene;5-phenyl-3-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]benzo[b]carbazole is sourced from PubChem (CID 142353409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).