7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole

C49H32N2 — CID 126580464

IUPAC7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc4c5ccccc5n(-c5ccc(-c6cccc7c6Cc6ccccc6-7)cc5)c4cc2n3-c2ccccc2)cc1
InChIInChI=1S/C49H32N2/c1-3-12-32(13-4-1)34-24-27-47-43(28-34)45-30-44-41-18-9-10-21-46(41)51(48(44)31-49(45)50(47)36-15-5-2-6-16-36)37-25-22-33(23-26-37)38-19-11-20-40-39-17-8-7-14-35(39)29-42(38)40/h1-28,30-31H,29H2
InChIKeyYMQVMBUFCLYDTH-UHFFFAOYSA-N
MW648.81 g/mol
LogP12.79
Rot. Bonds4

About 7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole

7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole (PubChem CID 126580464) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole
PubChem CID126580464
Molecular FormulaC49H32N2
Molecular Weight648.81 g/mol
Exact Mass648.26
IUPAC Name7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc4c5ccccc5n(-c5ccc(-c6cccc7c6Cc6ccccc6-7)cc5)c4cc2n3-c2ccccc2)cc1
InChIInChI=1S/C49H32N2/c1-3-12-32(13-4-1)34-24-27-47-43(28-34)45-30-44-41-18-9-10-21-46(41)51(48(44)31-49(45)50(47)36-15-5-2-6-16-36)37-25-22-33(23-26-37)38-19-11-20-40-39-17-8-7-14-35(39)29-42(38)40/h1-28,30-31H,29H2
InChIKeyYMQVMBUFCLYDTH-UHFFFAOYSA-N
XLogP12.79
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9H-fluoren-1-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline
CID 155138336
3-[16-(3,5-diphenylphenyl)-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaenyl]-9-phenylcarbazole
CID 161059724
2-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241625
3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole
CID 118346460
3-(9H-fluoren-4-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130230877
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
9-(4,6-diphenylpyrimidin-2-yl)-3-(9H-fluoren-1-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinolin-2-yl)carbazole
CID 158745000
3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole
CID 167043378
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[3-(9-phenylcarbazol-4-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-[4-(9-phenylcarbazol-4-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]carbazole
CID 157490123
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590375
5-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole;7-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]indolo[2,3-b]carbazole
CID 158411261
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 160831831

Frequently Asked Questions

What is the IUPAC name of 7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole?
The IUPAC name of 7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole (CID 126580464) is 7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole.
What is the SMILES notation for 7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole?
The canonical SMILES for 7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole is c1ccc(-c2ccc3c(c2)c2cc4c5ccccc5n(-c5ccc(-c6cccc7c6Cc6ccccc6-7)cc5)c4cc2n3-c2ccccc2)cc1.
What is the InChIKey of 7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole?
The InChIKey is YMQVMBUFCLYDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c1-3-12-32(13-4-1)34-24-27-47-43(28-34)45-30-44-41-18-9-10-21-46(41)51(48(44)31-49(45)50(47)36-15-5-2-6-16-36)37-25-22-33(23-26-37)38-19-11-20-40-39-17-8-7-14-35(39)29-42(38)40/h1-28,30-31H,29H2.
What are the key properties of 7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole?
7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole has a molecular weight of 648.81 g/mol, XLogP of 12.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole is sourced from PubChem (CID 126580464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).