3-(9-phenylcarbazol-3-yl)-10-[4-[4-[3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[3,2-a]carbazole

C76H48N6 — CID 90091140

IUPAC3-(9-phenylcarbazol-3-yl)-10-[4-[4-[3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[3,2-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4ccc5c4ccc4c6ccccc6n(-c6ccc(-c7ccc(-n8c9ccccc9c9ccc%10c(ccn%10-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)c98)cc7)cc6)c45)ccc32)cc1
InChIInChI=1S/C76H48N6/c1-3-15-51(16-4-1)79-69-23-11-9-21-59(69)65-47-55(35-39-73(65)79)77-45-43-63-67(77)41-37-61-57-19-7-13-25-71(57)81(75(61)63)53-31-27-49(28-32-53)50-29-33-54(34-30-50)82-72-26-14-8-20-58(72)62-38-42-68-64(76(62)82)44-46-78(68)56-36-40-74-66(48-56)60-22-10-12-24-70(60)80(74)52-17-5-2-6-18-52/h1-48H
InChIKeyLGGCKINKFABCGB-UHFFFAOYSA-N
MW1045.26 g/mol
LogP19.63
Rot. Bonds7

About 3-(9-phenylcarbazol-3-yl)-10-[4-[4-[3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[3,2-a]carbazole

3-(9-phenylcarbazol-3-yl)-10-[4-[4-[3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[3,2-a]carbazole (PubChem CID 90091140) has the molecular formula C76H48N6 and a molecular weight of 1045.26 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-10-[4-[4-[3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-10-[4-[4-[3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[3,2-a]carbazole
PubChem CID90091140
Molecular FormulaC76H48N6
Molecular Weight1045.26 g/mol
Exact Mass1044.39
IUPAC Name3-(9-phenylcarbazol-3-yl)-10-[4-[4-[3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[3,2-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4ccc5c4ccc4c6ccccc6n(-c6ccc(-c7ccc(-n8c9ccccc9c9ccc%10c(ccn%10-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)c98)cc7)cc6)c45)ccc32)cc1
InChIInChI=1S/C76H48N6/c1-3-15-51(16-4-1)79-69-23-11-9-21-59(69)65-47-55(35-39-73(65)79)77-45-43-63-67(77)41-37-61-57-19-7-13-25-71(57)81(75(61)63)53-31-27-49(28-32-53)50-29-33-54(34-30-50)82-72-26-14-8-20-58(72)62-38-42-68-64(76(62)82)44-46-78(68)56-36-40-74-66(48-56)60-22-10-12-24-70(60)80(74)52-17-5-2-6-18-52/h1-48H
InChIKeyLGGCKINKFABCGB-UHFFFAOYSA-N
XLogP19.63
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.26
LogP ≤ 519.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(9-phenylcarbazol-3-yl)-10-[4-[4-[3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[3,2-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-10-[4-[4-[3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[3,2-a]carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-10-[4-[4-[3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[3,2-a]carbazole (CID 90091140) is 3-(9-phenylcarbazol-3-yl)-10-[4-[4-[3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-10-[4-[4-[3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[3,2-a]carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-10-[4-[4-[3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[3,2-a]carbazole is c1ccc(-n2c3ccccc3c3cc(-n4ccc5c4ccc4c6ccccc6n(-c6ccc(-c7ccc(-n8c9ccccc9c9ccc%10c(ccn%10-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)c98)cc7)cc6)c45)ccc32)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-10-[4-[4-[3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[3,2-a]carbazole?
The InChIKey is LGGCKINKFABCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48N6/c1-3-15-51(16-4-1)79-69-23-11-9-21-59(69)65-47-55(35-39-73(65)79)77-45-43-63-67(77)41-37-61-57-19-7-13-25-71(57)81(75(61)63)53-31-27-49(28-32-53)50-29-33-54(34-30-50)82-72-26-14-8-20-58(72)62-38-42-68-64(76(62)82)44-46-78(68)56-36-40-74-66(48-56)60-22-10-12-24-70(60)80(74)52-17-5-2-6-18-52/h1-48H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-10-[4-[4-[3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[3,2-a]carbazole?
3-(9-phenylcarbazol-3-yl)-10-[4-[4-[3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[3,2-a]carbazole has a molecular weight of 1045.26 g/mol, XLogP of 19.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)-10-[4-[4-[3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 90091140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).