5-[4-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)phenyl]benzo[b]carbazole

C44H30N4 — CID 137433463

IUPAC5-[4-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)phenyl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3)c(-c3ccc4cccnc4c3)nc21
InChIInChI=1S/C44H30N4/c1-44(2)36-15-7-5-14-34(36)42-43(44)47-41(31-18-17-27-12-9-23-45-37(27)25-31)40(46-42)28-19-21-32(22-20-28)48-38-16-8-6-13-33(38)35-24-29-10-3-4-11-30(29)26-39(35)48/h3-26H,1-2H3
InChIKeyWCKBPVZLTYDKFO-UHFFFAOYSA-N
MW614.75 g/mol
LogP10.92
Rot. Bonds3

About 5-[4-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)phenyl]benzo[b]carbazole

5-[4-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)phenyl]benzo[b]carbazole (PubChem CID 137433463) has the molecular formula C44H30N4 and a molecular weight of 614.75 g/mol. Its IUPAC name is 5-[4-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)phenyl]benzo[b]carbazole
PubChem CID137433463
Molecular FormulaC44H30N4
Molecular Weight614.75 g/mol
Exact Mass614.25
IUPAC Name5-[4-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)phenyl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3)c(-c3ccc4cccnc4c3)nc21
InChIInChI=1S/C44H30N4/c1-44(2)36-15-7-5-14-34(36)42-43(44)47-41(31-18-17-27-12-9-23-45-37(27)25-31)40(46-42)28-19-21-32(22-20-28)48-38-16-8-6-13-33(38)35-24-29-10-3-4-11-30(29)26-39(35)48/h3-26H,1-2H3
InChIKeyWCKBPVZLTYDKFO-UHFFFAOYSA-N
XLogP10.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole
CID 146391643
12-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 146391711
5-(9,9-dimethyl-4-quinolin-6-ylindeno[2,1-d]pyrimidin-2-yl)benzo[b]carbazole
CID 146391671
5-[5-[9,9-dimethyl-3-phenyl-7-(4-phenylphenyl)indeno[1,2-b]pyrazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146392145
5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole
CID 137433801
5-[5,5-dimethyl-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole
CID 137433938
2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
CID 146375026
3-carbazol-9-yl-5-[4-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]phenyl]benzo[b]carbazole
CID 146375384
12-[9,9-dimethyl-7-phenyl-3-(9-phenylcarbazol-2-yl)indeno[1,2-b]pyrazin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 146392066
5-[9,9-dimethyl-2-(9,9'-spirobi[fluorene]-4'-yl)indeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole
CID 146391602
12-(9,9-dimethylfluoren-2-yl)-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 139322555
13-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-b]pyrazin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
CID 162472832

Frequently Asked Questions

What is the IUPAC name of 5-[4-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)phenyl]benzo[b]carbazole?
The IUPAC name of 5-[4-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)phenyl]benzo[b]carbazole (CID 137433463) is 5-[4-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)phenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)phenyl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)phenyl]benzo[b]carbazole is CC1(C)c2ccccc2-c2nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3)c(-c3ccc4cccnc4c3)nc21.
What is the InChIKey of 5-[4-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)phenyl]benzo[b]carbazole?
The InChIKey is WCKBPVZLTYDKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4/c1-44(2)36-15-7-5-14-34(36)42-43(44)47-41(31-18-17-27-12-9-23-45-37(27)25-31)40(46-42)28-19-21-32(22-20-28)48-38-16-8-6-13-33(38)35-24-29-10-3-4-11-30(29)26-39(35)48/h3-26H,1-2H3.
What are the key properties of 5-[4-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)phenyl]benzo[b]carbazole?
5-[4-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)phenyl]benzo[b]carbazole has a molecular weight of 614.75 g/mol, XLogP of 10.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 137433463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).