3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole

C51H34N4 — CID 90129286

IUPAC3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
SMILESCc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)cc32)cc1
InChIInChI=1S/C51H34N4/c1-33-19-25-38(26-20-33)55-46-17-9-6-13-40(46)42-29-23-37(32-49(42)55)36-24-30-48-44(31-36)41-14-7-10-18-47(41)54(48)39-27-21-35(22-28-39)51-52-45-16-8-5-15-43(45)50(53-51)34-11-3-2-4-12-34/h2-32H,1H3
InChIKeyNZZLSYKIOWXGLD-UHFFFAOYSA-N
MW702.86 g/mol
LogP13.13
Rot. Bonds5

About 3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole

3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole (PubChem CID 90129286) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
PubChem CID90129286
Molecular FormulaC51H34N4
Molecular Weight702.86 g/mol
Exact Mass702.28
IUPAC Name3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
SMILESCc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)cc32)cc1
InChIInChI=1S/C51H34N4/c1-33-19-25-38(26-20-33)55-46-17-9-6-13-40(46)42-29-23-37(32-49(42)55)36-24-30-48-44(31-36)41-14-7-10-18-47(41)54(48)39-27-21-35(22-28-39)51-52-45-16-8-5-15-43(45)50(53-51)34-11-3-2-4-12-34/h2-32H,1H3
InChIKeyNZZLSYKIOWXGLD-UHFFFAOYSA-N
XLogP13.13
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067272
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
CID 145159167
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145158976
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
3-[9-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144597211
2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 71287081
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 118345196
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630556

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The IUPAC name of 3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole (CID 90129286) is 3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The canonical SMILES for 3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole is Cc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)cc32)cc1.
What is the InChIKey of 3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The InChIKey is NZZLSYKIOWXGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-33-19-25-38(26-20-33)55-46-17-9-6-13-40(46)42-29-23-37(32-49(42)55)36-24-30-48-44(31-36)41-14-7-10-18-47(41)54(48)39-27-21-35(22-28-39)51-52-45-16-8-5-15-43(45)50(53-51)34-11-3-2-4-12-34/h2-32H,1H3.
What are the key properties of 3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole has a molecular weight of 702.86 g/mol, XLogP of 13.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole is sourced from PubChem (CID 90129286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).