1-phenyl-10-[3-(1-phenyl-5b,9a-dihydropyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole

C46H32N4 — CID 163963110

IUPAC1-phenyl-10-[3-(1-phenyl-5b,9a-dihydropyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole
SMILESC1=CC2c3ccc4ccn(-c5ccccc5)c4c3N(c3cccc(-n4c5ccccc5c5ccc6ccn(-c7ccccc7)c6c54)c3)C2C=C1
InChIInChI=1S/C46H32N4/c1-3-12-33(13-4-1)47-28-26-31-22-24-39-37-18-7-9-20-41(37)49(45(39)43(31)47)35-16-11-17-36(30-35)50-42-21-10-8-19-38(42)40-25-23-32-27-29-48(44(32)46(40)50)34-14-5-2-6-15-34/h1-30,37,41H
InChIKeySJFVFBLSEFHDCN-UHFFFAOYSA-N
MW640.79 g/mol
LogP11.40
Rot. Bonds4

About 1-phenyl-10-[3-(1-phenyl-5b,9a-dihydropyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole

1-phenyl-10-[3-(1-phenyl-5b,9a-dihydropyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole (PubChem CID 163963110) has the molecular formula C46H32N4 and a molecular weight of 640.79 g/mol. Its IUPAC name is 1-phenyl-10-[3-(1-phenyl-5b,9a-dihydropyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name1-phenyl-10-[3-(1-phenyl-5b,9a-dihydropyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole
PubChem CID163963110
Molecular FormulaC46H32N4
Molecular Weight640.79 g/mol
Exact Mass640.26
IUPAC Name1-phenyl-10-[3-(1-phenyl-5b,9a-dihydropyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole
SMILESC1=CC2c3ccc4ccn(-c5ccccc5)c4c3N(c3cccc(-n4c5ccccc5c5ccc6ccn(-c7ccccc7)c6c54)c3)C2C=C1
InChIInChI=1S/C46H32N4/c1-3-12-33(13-4-1)47-28-26-31-22-24-39-37-18-7-9-20-41(37)49(45(39)43(31)47)35-16-11-17-36(30-35)50-42-21-10-8-19-38(42)40-25-23-32-27-29-48(44(32)46(40)50)34-14-5-2-6-15-34/h1-30,37,41H
InChIKeySJFVFBLSEFHDCN-UHFFFAOYSA-N
XLogP11.40
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-10-[3-(1-phenyl-5b,9a-dihydropyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315161
1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 90090982
11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole
CID 123849393
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole
CID 139479529
9-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 140913943
(4aR)-12-(3-phenylphenyl)-11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole
CID 170023088
10-(3,5-diphenylphenyl)-1-phenylpyrrolo[2,3-a]carbazole
CID 90371617
5-[3,5-di(carbazol-9-yl)phenyl]-12-phenyl-7b,11a-dihydroindolo[3,2-c]carbazole
CID 122626270
11-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole
CID 167285574
12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 174273797
5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole
CID 170205828
1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole
CID 90091012

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-10-[3-(1-phenyl-5b,9a-dihydropyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole?
The IUPAC name of 1-phenyl-10-[3-(1-phenyl-5b,9a-dihydropyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole (CID 163963110) is 1-phenyl-10-[3-(1-phenyl-5b,9a-dihydropyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole.
What is the SMILES notation for 1-phenyl-10-[3-(1-phenyl-5b,9a-dihydropyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole?
The canonical SMILES for 1-phenyl-10-[3-(1-phenyl-5b,9a-dihydropyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole is C1=CC2c3ccc4ccn(-c5ccccc5)c4c3N(c3cccc(-n4c5ccccc5c5ccc6ccn(-c7ccccc7)c6c54)c3)C2C=C1.
What is the InChIKey of 1-phenyl-10-[3-(1-phenyl-5b,9a-dihydropyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole?
The InChIKey is SJFVFBLSEFHDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4/c1-3-12-33(13-4-1)47-28-26-31-22-24-39-37-18-7-9-20-41(37)49(45(39)43(31)47)35-16-11-17-36(30-35)50-42-21-10-8-19-38(42)40-25-23-32-27-29-48(44(32)46(40)50)34-14-5-2-6-15-34/h1-30,37,41H.
What are the key properties of 1-phenyl-10-[3-(1-phenyl-5b,9a-dihydropyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole?
1-phenyl-10-[3-(1-phenyl-5b,9a-dihydropyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole has a molecular weight of 640.79 g/mol, XLogP of 11.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-10-[3-(1-phenyl-5b,9a-dihydropyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 163963110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).