3-[9-(2,7-diphenyl-5H-1,3-diazepin-4-yl)carbazol-3-yl]-9-phenylcarbazole

C47H32N4 — CID 142357159

IUPAC3-[9-(2,7-diphenyl-5H-1,3-diazepin-4-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESC1=C(c2ccccc2)N=C(c2ccccc2)N=C(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)C1
InChIInChI=1S/C47H32N4/c1-4-14-32(15-5-1)41-26-29-46(49-47(48-41)33-16-6-2-7-17-33)51-43-23-13-11-21-38(43)40-31-35(25-28-45(40)51)34-24-27-44-39(30-34)37-20-10-12-22-42(37)50(44)36-18-8-3-9-19-36/h1-28,30-31H,29H2
InChIKeyZQLLSPZJWHTIGC-UHFFFAOYSA-N
MW652.80 g/mol
LogP11.70
Rot. Bonds4

About 3-[9-(2,7-diphenyl-5H-1,3-diazepin-4-yl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(2,7-diphenyl-5H-1,3-diazepin-4-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 142357159) has the molecular formula C47H32N4 and a molecular weight of 652.80 g/mol. Its IUPAC name is 3-[9-(2,7-diphenyl-5H-1,3-diazepin-4-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(2,7-diphenyl-5H-1,3-diazepin-4-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID142357159
Molecular FormulaC47H32N4
Molecular Weight652.80 g/mol
Exact Mass652.26
IUPAC Name3-[9-(2,7-diphenyl-5H-1,3-diazepin-4-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESC1=C(c2ccccc2)N=C(c2ccccc2)N=C(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)C1
InChIInChI=1S/C47H32N4/c1-4-14-32(15-5-1)41-26-29-46(49-47(48-41)33-16-6-2-7-17-33)51-43-23-13-11-21-38(43)40-31-35(25-28-45(40)51)34-24-27-44-39(30-34)37-20-10-12-22-42(37)50(44)36-18-8-3-9-19-36/h1-28,30-31H,29H2
InChIKeyZQLLSPZJWHTIGC-UHFFFAOYSA-N
XLogP11.70
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168

Frequently Asked Questions

What is the IUPAC name of 3-[9-(2,7-diphenyl-5H-1,3-diazepin-4-yl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(2,7-diphenyl-5H-1,3-diazepin-4-yl)carbazol-3-yl]-9-phenylcarbazole (CID 142357159) is 3-[9-(2,7-diphenyl-5H-1,3-diazepin-4-yl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(2,7-diphenyl-5H-1,3-diazepin-4-yl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(2,7-diphenyl-5H-1,3-diazepin-4-yl)carbazol-3-yl]-9-phenylcarbazole is C1=C(c2ccccc2)N=C(c2ccccc2)N=C(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)C1.
What is the InChIKey of 3-[9-(2,7-diphenyl-5H-1,3-diazepin-4-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is ZQLLSPZJWHTIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4/c1-4-14-32(15-5-1)41-26-29-46(49-47(48-41)33-16-6-2-7-17-33)51-43-23-13-11-21-38(43)40-31-35(25-28-45(40)51)34-24-27-44-39(30-34)37-20-10-12-22-42(37)50(44)36-18-8-3-9-19-36/h1-28,30-31H,29H2.
What are the key properties of 3-[9-(2,7-diphenyl-5H-1,3-diazepin-4-yl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(2,7-diphenyl-5H-1,3-diazepin-4-yl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 652.80 g/mol, XLogP of 11.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2,7-diphenyl-5H-1,3-diazepin-4-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 142357159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).