3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole

C112H66N10 — CID 166956013

IUPAC3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6cc(-n7c8ccccc8c8ccccc87)ccc6c6c7ccc(-c8cccc(-n9c%10ccccc%10c%10ccc(-c%11nc(-n%12c%13cc(-n%14c%15ccccc%15c%15c%16ccccc%16ccc%15%14)ccc%13c%13c%14ccccc%14ccc%13%12)nc%12ccccc%11%12)cc%109)c8)cc7ccc65)nc5ccccc45)cc32)cc1
InChIInChI=1S/C112H66N10/c1-2-26-74(27-3-1)117-94-40-17-12-33-83(94)85-54-46-72(63-102(85)117)109-87-35-8-15-38-92(87)114-112(115-109)122-101-60-50-71-61-70(45-53-80(71)108(101)91-56-51-76(65-104(91)122)118-95-41-18-10-31-81(95)82-32-11-19-42-96(82)118)69-25-22-28-75(62-69)120-97-43-20-13-34-84(97)86-55-47-73(64-103(86)120)110-88-36-9-16-39-93(88)113-111(116-110)121-100-59-49-68-24-5-7-30-79(68)107(100)90-57-52-77(66-105(90)121)119-98-44-21-14-37-89(98)106-78-29-6-4-23-67(78)48-58-99(106)119/h1-66H
InChIKeyJFUQZXIUUUMOQB-UHFFFAOYSA-N
MW1551.83 g/mol
LogP28.62
Rot. Bonds9

About 3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole

3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole (PubChem CID 166956013) has the molecular formula C112H66N10 and a molecular weight of 1551.83 g/mol. Its IUPAC name is 3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
PubChem CID166956013
Molecular FormulaC112H66N10
Molecular Weight1551.83 g/mol
Exact Mass1550.55
IUPAC Name3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6cc(-n7c8ccccc8c8ccccc87)ccc6c6c7ccc(-c8cccc(-n9c%10ccccc%10c%10ccc(-c%11nc(-n%12c%13cc(-n%14c%15ccccc%15c%15c%16ccccc%16ccc%15%14)ccc%13c%13c%14ccccc%14ccc%13%12)nc%12ccccc%11%12)cc%109)c8)cc7ccc65)nc5ccccc45)cc32)cc1
InChIInChI=1S/C112H66N10/c1-2-26-74(27-3-1)117-94-40-17-12-33-83(94)85-54-46-72(63-102(85)117)109-87-35-8-15-38-92(87)114-112(115-109)122-101-60-50-71-61-70(45-53-80(71)108(101)91-56-51-76(65-104(91)122)118-95-41-18-10-31-81(95)82-32-11-19-42-96(82)118)69-25-22-28-75(62-69)120-97-43-20-13-34-84(97)86-55-47-73(64-103(86)120)110-88-36-9-16-39-93(88)113-111(116-110)121-100-59-49-68-24-5-7-30-79(68)107(100)90-57-52-77(66-105(90)121)119-98-44-21-14-37-89(98)106-78-29-6-4-23-67(78)48-58-99(106)119/h1-66H
InChIKeyJFUQZXIUUUMOQB-UHFFFAOYSA-N
XLogP28.62
TPSA81.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001551.83
LogP ≤ 528.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole with MolForge

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Related Compounds

10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481241
9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481400
22-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597887
12-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-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 129149729
10-carbazol-9-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 161241392
3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375569
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
14-phenyl-9-[4-(3-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165864
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10-(9-phenylcarbazol-3-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 163803963
14-(4-dibenzofuran-3-ylquinazolin-2-yl)-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165797
7-(4-phenylphenyl)-10-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole;7-(4-phenylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 165103211
12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-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 71109102

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole?
The IUPAC name of 3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole (CID 166956013) is 3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole?
The canonical SMILES for 3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6cc(-n7c8ccccc8c8ccccc87)ccc6c6c7ccc(-c8cccc(-n9c%10ccccc%10c%10ccc(-c%11nc(-n%12c%13cc(-n%14c%15ccccc%15c%15c%16ccccc%16ccc%15%14)ccc%13c%13c%14ccccc%14ccc%13%12)nc%12ccccc%11%12)cc%109)c8)cc7ccc65)nc5ccccc45)cc32)cc1.
What is the InChIKey of 3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole?
The InChIKey is JFUQZXIUUUMOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H66N10/c1-2-26-74(27-3-1)117-94-40-17-12-33-83(94)85-54-46-72(63-102(85)117)109-87-35-8-15-38-92(87)114-112(115-109)122-101-60-50-71-61-70(45-53-80(71)108(101)91-56-51-76(65-104(91)122)118-95-41-18-10-31-81(95)82-32-11-19-42-96(82)118)69-25-22-28-75(62-69)120-97-43-20-13-34-84(97)86-55-47-73(64-103(86)120)110-88-36-9-16-39-93(88)113-111(116-110)121-100-59-49-68-24-5-7-30-79(68)107(100)90-57-52-77(66-105(90)121)119-98-44-21-14-37-89(98)106-78-29-6-4-23-67(78)48-58-99(106)119/h1-66H.
What are the key properties of 3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole?
3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole has a molecular weight of 1551.83 g/mol, XLogP of 28.62, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 166956013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).