10-benzo[a]carbazol-11-yl-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;11H-benzo[a]fluorene;10-chloro-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;methane

C110H70ClN7 — CID 163722227

IUPAC10-benzo[a]carbazol-11-yl-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;11H-benzo[a]fluorene;10-chloro-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;methane
SMILESC.Clc1ccc2c(c1)c1c3ccccc3ccc1n2-c1nc2ccccc2nc1-c1ccc2c(ccc3ccccc32)c1.c1ccc2c(c1)Cc1c-2ccc2ccccc12.c1ccc2c(c1)ccc1cc(-c3nc4ccccc4nc3-n3c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4c4c5ccccc5ccc43)ccc12
InChIInChI=1S/C54H32N4.C38H22ClN3.C17H12.CH4/c1-4-14-39-33(11-1)21-22-36-31-37(24-27-40(36)39)52-54(56-47-19-9-8-18-46(47)55-52)58-49-30-26-38(32-45(49)51-41-15-5-2-12-34(41)25-29-50(51)58)57-48-20-10-7-17-43(48)44-28-23-35-13-3-6-16-42(35)53(44)57;39-27-17-20-34-31(22-27)36-30-10-4-2-8-24(30)16-19-35(36)42(34)38-37(40-32-11-5-6-12-33(32)41-38)26-15-18-29-25(21-26)14-13-23-7-1-3-9-28(23)29;1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16;/h1-32H;1-22H;1-10H,11H2;1H4
InChIKeyKSOKGOCJJRHSGG-UHFFFAOYSA-N
MW1525.27 g/mol
LogP29.66
Rot. Bonds5

About 10-benzo[a]carbazol-11-yl-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;11H-benzo[a]fluorene;10-chloro-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;methane

10-benzo[a]carbazol-11-yl-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;11H-benzo[a]fluorene;10-chloro-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;methane (PubChem CID 163722227) has the molecular formula C110H70ClN7 and a molecular weight of 1525.27 g/mol. Its IUPAC name is 10-benzo[a]carbazol-11-yl-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;11H-benzo[a]fluorene;10-chloro-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;methane.

Molecular Properties

Compound Name10-benzo[a]carbazol-11-yl-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;11H-benzo[a]fluorene;10-chloro-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;methane
PubChem CID163722227
Molecular FormulaC110H70ClN7
Molecular Weight1525.27 g/mol
Exact Mass1523.54
IUPAC Name10-benzo[a]carbazol-11-yl-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;11H-benzo[a]fluorene;10-chloro-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;methane
SMILESC.Clc1ccc2c(c1)c1c3ccccc3ccc1n2-c1nc2ccccc2nc1-c1ccc2c(ccc3ccccc32)c1.c1ccc2c(c1)Cc1c-2ccc2ccccc12.c1ccc2c(c1)ccc1cc(-c3nc4ccccc4nc3-n3c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4c4c5ccccc5ccc43)ccc12
InChIInChI=1S/C54H32N4.C38H22ClN3.C17H12.CH4/c1-4-14-39-33(11-1)21-22-36-31-37(24-27-40(36)39)52-54(56-47-19-9-8-18-46(47)55-52)58-49-30-26-38(32-45(49)51-41-15-5-2-12-34(41)25-29-50(51)58)57-48-20-10-7-17-43(48)44-28-23-35-13-3-6-16-42(35)53(44)57;39-27-17-20-34-31(22-27)36-30-10-4-2-8-24(30)16-19-35(36)42(34)38-37(40-32-11-5-6-12-33(32)41-38)26-15-18-29-25(21-26)14-13-23-7-1-3-9-28(23)29;1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16;/h1-32H;1-22H;1-10H,11H2;1H4
InChIKeyKSOKGOCJJRHSGG-UHFFFAOYSA-N
XLogP29.66
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001525.27
LogP ≤ 529.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-chloro-7-[3-(4-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 162481159
10-carbazol-9-yl-7-[3-(3-naphthalen-1-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole;10-carbazol-9-yl-7-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 163468032
10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole
CID 162481423
10-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]carbazole
CID 162481137
12-[3-(9H-fluoren-1-yl)quinoxalin-2-yl]-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 155020555
9-[2-(10-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)-3-dibenzothiophen-4-ylquinoxalin-6-yl]-7-[7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 166846223
2-benzo[a]carbazol-11-yl-5-[6-(3-naphthalen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole;2-benzo[a]carbazol-11-yl-5-[6-(3-triphenylen-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 159658375
9-benzo[a]carbazol-11-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole;9-benzo[a]carbazol-11-yl-7-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[c]carbazole
CID 163508153
11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 155114491
2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 131979682
11-(3-naphthalen-2-ylquinoxalin-2-yl)-7-(9-phenylcarbazol-4-yl)benzo[a]carbazole
CID 155114316
14-(3-naphthalen-2-ylquinoxalin-2-yl)-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene
CID 148811701

Frequently Asked Questions

What is the IUPAC name of 10-benzo[a]carbazol-11-yl-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;11H-benzo[a]fluorene;10-chloro-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;methane?
The IUPAC name of 10-benzo[a]carbazol-11-yl-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;11H-benzo[a]fluorene;10-chloro-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;methane (CID 163722227) is 10-benzo[a]carbazol-11-yl-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;11H-benzo[a]fluorene;10-chloro-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;methane.
What is the SMILES notation for 10-benzo[a]carbazol-11-yl-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;11H-benzo[a]fluorene;10-chloro-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;methane?
The canonical SMILES for 10-benzo[a]carbazol-11-yl-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;11H-benzo[a]fluorene;10-chloro-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;methane is C.Clc1ccc2c(c1)c1c3ccccc3ccc1n2-c1nc2ccccc2nc1-c1ccc2c(ccc3ccccc32)c1.c1ccc2c(c1)Cc1c-2ccc2ccccc12.c1ccc2c(c1)ccc1cc(-c3nc4ccccc4nc3-n3c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4c4c5ccccc5ccc43)ccc12.
What is the InChIKey of 10-benzo[a]carbazol-11-yl-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;11H-benzo[a]fluorene;10-chloro-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;methane?
The InChIKey is KSOKGOCJJRHSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4.C38H22ClN3.C17H12.CH4/c1-4-14-39-33(11-1)21-22-36-31-37(24-27-40(36)39)52-54(56-47-19-9-8-18-46(47)55-52)58-49-30-26-38(32-45(49)51-41-15-5-2-12-34(41)25-29-50(51)58)57-48-20-10-7-17-43(48)44-28-23-35-13-3-6-16-42(35)53(44)57;39-27-17-20-34-31(22-27)36-30-10-4-2-8-24(30)16-19-35(36)42(34)38-37(40-32-11-5-6-12-33(32)41-38)26-15-18-29-25(21-26)14-13-23-7-1-3-9-28(23)29;1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16;/h1-32H;1-22H;1-10H,11H2;1H4.
What are the key properties of 10-benzo[a]carbazol-11-yl-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;11H-benzo[a]fluorene;10-chloro-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;methane?
10-benzo[a]carbazol-11-yl-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;11H-benzo[a]fluorene;10-chloro-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;methane has a molecular weight of 1525.27 g/mol, XLogP of 29.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzo[a]carbazol-11-yl-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;11H-benzo[a]fluorene;10-chloro-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;methane is sourced from PubChem (CID 163722227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).