12-(1,10-phenanthrolin-3-yl)-11-phenylindolo[2,3-a]carbazole

C36H22N4 — CID 118501870

IUPAC12-(1,10-phenanthrolin-3-yl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cnc6c(ccc7cccnc76)c5)c4c32)cc1
InChIInChI=1S/C36H22N4/c1-2-10-25(11-3-1)39-31-14-6-4-12-27(31)29-18-19-30-28-13-5-7-15-32(28)40(36(30)35(29)39)26-21-24-17-16-23-9-8-20-37-33(23)34(24)38-22-26/h1-22H
InChIKeyZQOAPXVDMAYETG-UHFFFAOYSA-N
MW510.60 g/mol
LogP8.98
Rot. Bonds2

About 12-(1,10-phenanthrolin-3-yl)-11-phenylindolo[2,3-a]carbazole

12-(1,10-phenanthrolin-3-yl)-11-phenylindolo[2,3-a]carbazole (PubChem CID 118501870) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 12-(1,10-phenanthrolin-3-yl)-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(1,10-phenanthrolin-3-yl)-11-phenylindolo[2,3-a]carbazole
PubChem CID118501870
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name12-(1,10-phenanthrolin-3-yl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cnc6c(ccc7cccnc76)c5)c4c32)cc1
InChIInChI=1S/C36H22N4/c1-2-10-25(11-3-1)39-31-14-6-4-12-27(31)29-18-19-30-28-13-5-7-15-32(28)40(36(30)35(29)39)26-21-24-17-16-23-9-8-20-37-33(23)34(24)38-22-26/h1-22H
InChIKeyZQOAPXVDMAYETG-UHFFFAOYSA-N
XLogP8.98
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-[4-(1,10-phenanthrolin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90324556
11-(1,10-phenanthrolin-3-yl)-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
CID 121310442
9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole
CID 71127134
24-phenyl-3-quinolin-6-yl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 122465105
9-(9-naphthalen-2-ylcarbazol-1-yl)-5-phenylpyrido[3,2-b]indole
CID 129221541
15-phenyl-12-quinazolin-2-yl-4,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene
CID 122523957
11,12-di(quinolin-8-yl)indolo[2,3-a]carbazole
CID 58184810
3,4,15,16-tetramethyl-5,17-bis(1,10-phenanthrolin-3-yl)-5,17-diazahexacyclo[11.11.0.02,6.07,12.014,18.019,24]tetracosa-1(13),2(6),3,7,9,11,14(18),15,19,21,23-undecaene
CID 58454020
5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole
CID 118487867
24-phenyl-3-pyridin-2-yl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122465004
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954
5-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
CID 129221488

Frequently Asked Questions

What is the IUPAC name of 12-(1,10-phenanthrolin-3-yl)-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-(1,10-phenanthrolin-3-yl)-11-phenylindolo[2,3-a]carbazole (CID 118501870) is 12-(1,10-phenanthrolin-3-yl)-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(1,10-phenanthrolin-3-yl)-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(1,10-phenanthrolin-3-yl)-11-phenylindolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cnc6c(ccc7cccnc76)c5)c4c32)cc1.
What is the InChIKey of 12-(1,10-phenanthrolin-3-yl)-11-phenylindolo[2,3-a]carbazole?
The InChIKey is ZQOAPXVDMAYETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c1-2-10-25(11-3-1)39-31-14-6-4-12-27(31)29-18-19-30-28-13-5-7-15-32(28)40(36(30)35(29)39)26-21-24-17-16-23-9-8-20-37-33(23)34(24)38-22-26/h1-22H.
What are the key properties of 12-(1,10-phenanthrolin-3-yl)-11-phenylindolo[2,3-a]carbazole?
12-(1,10-phenanthrolin-3-yl)-11-phenylindolo[2,3-a]carbazole has a molecular weight of 510.60 g/mol, XLogP of 8.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(1,10-phenanthrolin-3-yl)-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 118501870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).