3-chloro-11H-benzo[b]fluorene;2-chloro-5-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]benzo[b]carbazole;10-(2-chloroquinazolin-4-yl)-7-phenylbenzo[c]carbazole;toluene

C100H64Cl3N7 — CID 159528829

IUPAC3-chloro-11H-benzo[b]fluorene;2-chloro-5-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]benzo[b]carbazole;10-(2-chloroquinazolin-4-yl)-7-phenylbenzo[c]carbazole;toluene
SMILESCc1ccccc1.Clc1ccc2c(c1)-c1cc3ccccc3cc1C2.Clc1ccc2c(c1)c1cc3ccccc3cc1n2-c1nc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2ccccc2)c2ccccc2n1.Clc1nc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C46H27ClN4.C30H18ClN3.C17H11Cl.C7H8/c47-32-20-23-40-37(27-32)36-24-29-11-4-5-12-30(29)26-43(36)51(40)46-48-39-17-9-8-16-35(39)45(49-46)31-19-21-41-38(25-31)44-34-15-7-6-10-28(34)18-22-42(44)50(41)33-13-2-1-3-14-33;31-30-32-25-13-7-6-12-23(25)29(33-30)20-15-16-26-24(18-20)28-22-11-5-4-8-19(22)14-17-27(28)34(26)21-9-2-1-3-10-21;18-15-6-5-13-8-14-7-11-3-1-2-4-12(11)9-16(14)17(13)10-15;1-7-5-3-2-4-6-7/h1-27H;1-18H;1-7,9-10H,8H2;2-6H,1H3
InChIKeyMCSQRKIIVXVRNP-UHFFFAOYSA-N
MW1470.02 g/mol
LogP27.71
Rot. Bonds5

About 3-chloro-11H-benzo[b]fluorene;2-chloro-5-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]benzo[b]carbazole;10-(2-chloroquinazolin-4-yl)-7-phenylbenzo[c]carbazole;toluene

3-chloro-11H-benzo[b]fluorene;2-chloro-5-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]benzo[b]carbazole;10-(2-chloroquinazolin-4-yl)-7-phenylbenzo[c]carbazole;toluene (PubChem CID 159528829) has the molecular formula C100H64Cl3N7 and a molecular weight of 1470.02 g/mol. Its IUPAC name is 3-chloro-11H-benzo[b]fluorene;2-chloro-5-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]benzo[b]carbazole;10-(2-chloroquinazolin-4-yl)-7-phenylbenzo[c]carbazole;toluene.

Molecular Properties

Compound Name3-chloro-11H-benzo[b]fluorene;2-chloro-5-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]benzo[b]carbazole;10-(2-chloroquinazolin-4-yl)-7-phenylbenzo[c]carbazole;toluene
PubChem CID159528829
Molecular FormulaC100H64Cl3N7
Molecular Weight1470.02 g/mol
Exact Mass1467.43
IUPAC Name3-chloro-11H-benzo[b]fluorene;2-chloro-5-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]benzo[b]carbazole;10-(2-chloroquinazolin-4-yl)-7-phenylbenzo[c]carbazole;toluene
SMILESCc1ccccc1.Clc1ccc2c(c1)-c1cc3ccccc3cc1C2.Clc1ccc2c(c1)c1cc3ccccc3cc1n2-c1nc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2ccccc2)c2ccccc2n1.Clc1nc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C46H27ClN4.C30H18ClN3.C17H11Cl.C7H8/c47-32-20-23-40-37(27-32)36-24-29-11-4-5-12-30(29)26-43(36)51(40)46-48-39-17-9-8-16-35(39)45(49-46)31-19-21-41-38(25-31)44-34-15-7-6-10-28(34)18-22-42(44)50(41)33-13-2-1-3-14-33;31-30-32-25-13-7-6-12-23(25)29(33-30)20-15-16-26-24(18-20)28-22-11-5-4-8-19(22)14-17-27(28)34(26)21-9-2-1-3-10-21;18-15-6-5-13-8-14-7-11-3-1-2-4-12(11)9-16(14)17(13)10-15;1-7-5-3-2-4-6-7/h1-27H;1-18H;1-7,9-10H,8H2;2-6H,1H3
InChIKeyMCSQRKIIVXVRNP-UHFFFAOYSA-N
XLogP27.71
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001470.02
LogP ≤ 527.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-chloro-11H-benzo[b]fluorene;2-chloro-5-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]benzo[b]carbazole;10-(2-chloroquinazolin-4-yl)-7-phenylbenzo[c]carbazole;toluene with MolForge

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Related Compounds

12-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 139361712
9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481400
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
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-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481241
5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 71109304
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
10-benzo[b]carbazol-5-yl-7-[4-(2-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 161141967
2-(3-bromophenyl)-4-(4-phenylphenyl)quinazoline;2-carbazol-9-yl-5-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[b]carbazole;3-chloro-11H-benzo[b]fluorene;2-chloro-5-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[b]carbazole;9H-fluorene
CID 162194630
7-[4-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109046
7-(4-naphthalen-2-ylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 164784298
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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-11H-benzo[b]fluorene;2-chloro-5-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]benzo[b]carbazole;10-(2-chloroquinazolin-4-yl)-7-phenylbenzo[c]carbazole;toluene?
The IUPAC name of 3-chloro-11H-benzo[b]fluorene;2-chloro-5-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]benzo[b]carbazole;10-(2-chloroquinazolin-4-yl)-7-phenylbenzo[c]carbazole;toluene (CID 159528829) is 3-chloro-11H-benzo[b]fluorene;2-chloro-5-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]benzo[b]carbazole;10-(2-chloroquinazolin-4-yl)-7-phenylbenzo[c]carbazole;toluene.
What is the SMILES notation for 3-chloro-11H-benzo[b]fluorene;2-chloro-5-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]benzo[b]carbazole;10-(2-chloroquinazolin-4-yl)-7-phenylbenzo[c]carbazole;toluene?
The canonical SMILES for 3-chloro-11H-benzo[b]fluorene;2-chloro-5-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]benzo[b]carbazole;10-(2-chloroquinazolin-4-yl)-7-phenylbenzo[c]carbazole;toluene is Cc1ccccc1.Clc1ccc2c(c1)-c1cc3ccccc3cc1C2.Clc1ccc2c(c1)c1cc3ccccc3cc1n2-c1nc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2ccccc2)c2ccccc2n1.Clc1nc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 3-chloro-11H-benzo[b]fluorene;2-chloro-5-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]benzo[b]carbazole;10-(2-chloroquinazolin-4-yl)-7-phenylbenzo[c]carbazole;toluene?
The InChIKey is MCSQRKIIVXVRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27ClN4.C30H18ClN3.C17H11Cl.C7H8/c47-32-20-23-40-37(27-32)36-24-29-11-4-5-12-30(29)26-43(36)51(40)46-48-39-17-9-8-16-35(39)45(49-46)31-19-21-41-38(25-31)44-34-15-7-6-10-28(34)18-22-42(44)50(41)33-13-2-1-3-14-33;31-30-32-25-13-7-6-12-23(25)29(33-30)20-15-16-26-24(18-20)28-22-11-5-4-8-19(22)14-17-27(28)34(26)21-9-2-1-3-10-21;18-15-6-5-13-8-14-7-11-3-1-2-4-12(11)9-16(14)17(13)10-15;1-7-5-3-2-4-6-7/h1-27H;1-18H;1-7,9-10H,8H2;2-6H,1H3.
What are the key properties of 3-chloro-11H-benzo[b]fluorene;2-chloro-5-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]benzo[b]carbazole;10-(2-chloroquinazolin-4-yl)-7-phenylbenzo[c]carbazole;toluene?
3-chloro-11H-benzo[b]fluorene;2-chloro-5-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]benzo[b]carbazole;10-(2-chloroquinazolin-4-yl)-7-phenylbenzo[c]carbazole;toluene has a molecular weight of 1470.02 g/mol, XLogP of 27.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-11H-benzo[b]fluorene;2-chloro-5-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]benzo[b]carbazole;10-(2-chloroquinazolin-4-yl)-7-phenylbenzo[c]carbazole;toluene is sourced from PubChem (CID 159528829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).