2-[7-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-3-yl]phenyl]benzo[c]carbazol-11-yl]-6-[3-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline

C98H58N10 — CID 134513718

IUPAC2-[7-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-3-yl]phenyl]benzo[c]carbazol-11-yl]-6-[3-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5nc6ccc(-c7cccc8c7c7c9ccccc9ccc7n8-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8nc9ccccc9c9nc%10ccccc%10n89)cc7)cc6c6nc7ccccc7n56)c4)cc32)cc1
InChIInChI=1S/C98H58N10/c1-2-23-67(24-3-1)103-83-34-13-7-26-71(83)74-49-42-65(58-92(74)103)62-22-18-21-61(54-62)64-46-52-87-77(56-64)73-28-9-15-36-85(73)106(87)98-102-80-50-43-66(57-78(80)96-100-82-33-12-17-38-89(82)108(96)98)70-30-19-39-90-94(70)93-69-25-5-4-20-60(69)44-53-91(93)104(90)68-47-40-59(41-48-68)63-45-51-86-76(55-63)72-27-8-14-35-84(72)105(86)97-101-79-31-10-6-29-75(79)95-99-81-32-11-16-37-88(81)107(95)97/h1-58H
InChIKeyNIMLQABQAVARJW-UHFFFAOYSA-N
MW1375.61 g/mol
LogP24.59
Rot. Bonds8

About 2-[7-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-3-yl]phenyl]benzo[c]carbazol-11-yl]-6-[3-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline

2-[7-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-3-yl]phenyl]benzo[c]carbazol-11-yl]-6-[3-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134513718) has the molecular formula C98H58N10 and a molecular weight of 1375.61 g/mol. Its IUPAC name is 2-[7-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-3-yl]phenyl]benzo[c]carbazol-11-yl]-6-[3-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name2-[7-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-3-yl]phenyl]benzo[c]carbazol-11-yl]-6-[3-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
PubChem CID134513718
Molecular FormulaC98H58N10
Molecular Weight1375.61 g/mol
Exact Mass1374.48
IUPAC Name2-[7-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-3-yl]phenyl]benzo[c]carbazol-11-yl]-6-[3-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5nc6ccc(-c7cccc8c7c7c9ccccc9ccc7n8-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8nc9ccccc9c9nc%10ccccc%10n89)cc7)cc6c6nc7ccccc7n56)c4)cc32)cc1
InChIInChI=1S/C98H58N10/c1-2-23-67(24-3-1)103-83-34-13-7-26-71(83)74-49-42-65(58-92(74)103)62-22-18-21-61(54-62)64-46-52-87-77(56-64)73-28-9-15-36-85(73)106(87)98-102-80-50-43-66(57-78(80)96-100-82-33-12-17-38-89(82)108(96)98)70-30-19-39-90-94(70)93-69-25-5-4-20-60(69)44-53-91(93)104(90)68-47-40-59(41-48-68)63-45-51-86-76(55-63)72-27-8-14-35-84(72)105(86)97-101-79-31-10-6-29-75(79)95-99-81-32-11-16-37-88(81)107(95)97/h1-58H
InChIKeyNIMLQABQAVARJW-UHFFFAOYSA-N
XLogP24.59
TPSA80.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001375.61
LogP ≤ 524.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[7-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-3-yl]phenyl]benzo[c]carbazol-11-yl]-6-[3-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-3-yl]phenyl]benzo[c]carbazol-11-yl]-6-[3-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 2-[7-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-3-yl]phenyl]benzo[c]carbazol-11-yl]-6-[3-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (CID 134513718) is 2-[7-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-3-yl]phenyl]benzo[c]carbazol-11-yl]-6-[3-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 2-[7-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-3-yl]phenyl]benzo[c]carbazol-11-yl]-6-[3-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 2-[7-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-3-yl]phenyl]benzo[c]carbazol-11-yl]-6-[3-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is c1ccc(-n2c3ccccc3c3ccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5nc6ccc(-c7cccc8c7c7c9ccccc9ccc7n8-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8nc9ccccc9c9nc%10ccccc%10n89)cc7)cc6c6nc7ccccc7n56)c4)cc32)cc1.
What is the InChIKey of 2-[7-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-3-yl]phenyl]benzo[c]carbazol-11-yl]-6-[3-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is NIMLQABQAVARJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H58N10/c1-2-23-67(24-3-1)103-83-34-13-7-26-71(83)74-49-42-65(58-92(74)103)62-22-18-21-61(54-62)64-46-52-87-77(56-64)73-28-9-15-36-85(73)106(87)98-102-80-50-43-66(57-78(80)96-100-82-33-12-17-38-89(82)108(96)98)70-30-19-39-90-94(70)93-69-25-5-4-20-60(69)44-53-91(93)104(90)68-47-40-59(41-48-68)63-45-51-86-76(55-63)72-27-8-14-35-84(72)105(86)97-101-79-31-10-6-29-75(79)95-99-81-32-11-16-37-88(81)107(95)97/h1-58H.
What are the key properties of 2-[7-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-3-yl]phenyl]benzo[c]carbazol-11-yl]-6-[3-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
2-[7-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-3-yl]phenyl]benzo[c]carbazol-11-yl]-6-[3-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 1375.61 g/mol, XLogP of 24.59, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-3-yl]phenyl]benzo[c]carbazol-11-yl]-6-[3-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134513718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).