9-phenyl-2-[4-[4-[2-phenyl-4-(1-phenylnaphthalen-2-yl)-1,2-dihydropyrimidin-6-yl]naphthalen-1-yl]phenyl]carbazole

C60H41N3 — CID 167257395

IUPAC9-phenyl-2-[4-[4-[2-phenyl-4-(1-phenylnaphthalen-2-yl)-1,2-dihydropyrimidin-6-yl]naphthalen-1-yl]phenyl]carbazole
SMILESC1=C(c2ccc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3ccccc23)NC(c2ccccc2)N=C1c1ccc2ccccc2c1-c1ccccc1
InChIInChI=1S/C60H41N3/c1-4-17-43(18-5-1)59-48-23-11-10-16-41(48)32-35-54(59)56-39-55(61-60(62-56)44-19-6-2-7-20-44)51-37-36-47(49-24-12-13-25-50(49)51)42-30-28-40(29-31-42)45-33-34-53-52-26-14-15-27-57(52)63(58(53)38-45)46-21-8-3-9-22-46/h1-39,60-61H
InChIKeyLJMXNQXHLSZGCU-UHFFFAOYSA-N
MW804.01 g/mol
LogP15.22
Rot. Bonds7

About 9-phenyl-2-[4-[4-[2-phenyl-4-(1-phenylnaphthalen-2-yl)-1,2-dihydropyrimidin-6-yl]naphthalen-1-yl]phenyl]carbazole

9-phenyl-2-[4-[4-[2-phenyl-4-(1-phenylnaphthalen-2-yl)-1,2-dihydropyrimidin-6-yl]naphthalen-1-yl]phenyl]carbazole (PubChem CID 167257395) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is 9-phenyl-2-[4-[4-[2-phenyl-4-(1-phenylnaphthalen-2-yl)-1,2-dihydropyrimidin-6-yl]naphthalen-1-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-2-[4-[4-[2-phenyl-4-(1-phenylnaphthalen-2-yl)-1,2-dihydropyrimidin-6-yl]naphthalen-1-yl]phenyl]carbazole
PubChem CID167257395
Molecular FormulaC60H41N3
Molecular Weight804.01 g/mol
Exact Mass803.33
IUPAC Name9-phenyl-2-[4-[4-[2-phenyl-4-(1-phenylnaphthalen-2-yl)-1,2-dihydropyrimidin-6-yl]naphthalen-1-yl]phenyl]carbazole
SMILESC1=C(c2ccc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3ccccc23)NC(c2ccccc2)N=C1c1ccc2ccccc2c1-c1ccccc1
InChIInChI=1S/C60H41N3/c1-4-17-43(18-5-1)59-48-23-11-10-16-41(48)32-35-54(59)56-39-55(61-60(62-56)44-19-6-2-7-20-44)51-37-36-47(49-24-12-13-25-50(49)51)42-30-28-40(29-31-42)45-33-34-53-52-26-14-15-27-57(52)63(58(53)38-45)46-21-8-3-9-22-46/h1-39,60-61H
InChIKeyLJMXNQXHLSZGCU-UHFFFAOYSA-N
XLogP15.22
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 515.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214923
9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole
CID 144680701
6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole
CID 164968420
9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole
CID 155382380
2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9-phenylcarbazole
CID 129099674
2-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,2-dihydropyrimidin-2-yl)phenyl]-9-phenylcarbazole
CID 149248935
2-(3-carbazol-9-ylphenyl)-9-(4-naphthalen-1-ylphenyl)carbazole
CID 144560197
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(7,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-6-naphthalen-1-yl-9-phenylcarbazole
CID 157256815
2,6-diphenyl-4-(4-phenylnaphthalen-2-yl)-1,2-dihydropyrimidine
CID 174321754
2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole
CID 159388535
9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171438085

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-[4-[4-[2-phenyl-4-(1-phenylnaphthalen-2-yl)-1,2-dihydropyrimidin-6-yl]naphthalen-1-yl]phenyl]carbazole?
The IUPAC name of 9-phenyl-2-[4-[4-[2-phenyl-4-(1-phenylnaphthalen-2-yl)-1,2-dihydropyrimidin-6-yl]naphthalen-1-yl]phenyl]carbazole (CID 167257395) is 9-phenyl-2-[4-[4-[2-phenyl-4-(1-phenylnaphthalen-2-yl)-1,2-dihydropyrimidin-6-yl]naphthalen-1-yl]phenyl]carbazole.
What is the SMILES notation for 9-phenyl-2-[4-[4-[2-phenyl-4-(1-phenylnaphthalen-2-yl)-1,2-dihydropyrimidin-6-yl]naphthalen-1-yl]phenyl]carbazole?
The canonical SMILES for 9-phenyl-2-[4-[4-[2-phenyl-4-(1-phenylnaphthalen-2-yl)-1,2-dihydropyrimidin-6-yl]naphthalen-1-yl]phenyl]carbazole is C1=C(c2ccc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3ccccc23)NC(c2ccccc2)N=C1c1ccc2ccccc2c1-c1ccccc1.
What is the InChIKey of 9-phenyl-2-[4-[4-[2-phenyl-4-(1-phenylnaphthalen-2-yl)-1,2-dihydropyrimidin-6-yl]naphthalen-1-yl]phenyl]carbazole?
The InChIKey is LJMXNQXHLSZGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3/c1-4-17-43(18-5-1)59-48-23-11-10-16-41(48)32-35-54(59)56-39-55(61-60(62-56)44-19-6-2-7-20-44)51-37-36-47(49-24-12-13-25-50(49)51)42-30-28-40(29-31-42)45-33-34-53-52-26-14-15-27-57(52)63(58(53)38-45)46-21-8-3-9-22-46/h1-39,60-61H.
What are the key properties of 9-phenyl-2-[4-[4-[2-phenyl-4-(1-phenylnaphthalen-2-yl)-1,2-dihydropyrimidin-6-yl]naphthalen-1-yl]phenyl]carbazole?
9-phenyl-2-[4-[4-[2-phenyl-4-(1-phenylnaphthalen-2-yl)-1,2-dihydropyrimidin-6-yl]naphthalen-1-yl]phenyl]carbazole has a molecular weight of 804.01 g/mol, XLogP of 15.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-[4-[4-[2-phenyl-4-(1-phenylnaphthalen-2-yl)-1,2-dihydropyrimidin-6-yl]naphthalen-1-yl]phenyl]carbazole is sourced from PubChem (CID 167257395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).