3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole

C92H56N8 — CID 139315614

IUPAC3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
SMILESc1cc(-c2nc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)nc(-c6ccc(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)cc6)nc5c4)cc3)c3ccccc3n2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C92H56N8/c1-2-19-61-52-63(41-38-57(61)18-1)90-76-49-44-62(54-80(76)94-91(96-90)60-42-45-65(46-43-60)97-85-34-15-8-26-73(85)77-55-67(47-50-87(77)97)99-81-30-11-4-22-69(81)70-23-5-12-31-82(70)99)58-36-39-59(40-37-58)89-75-28-3-10-29-79(75)93-92(95-89)64-20-17-21-66(53-64)98-86-35-16-9-27-74(86)78-56-68(48-51-88(78)98)100-83-32-13-6-24-71(83)72-25-7-14-33-84(72)100/h1-56H
InChIKeyMRZHHPWKBSVTRF-UHFFFAOYSA-N
MW1273.52 g/mol
LogP23.45
Rot. Bonds9

About 3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole

3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole (PubChem CID 139315614) has the molecular formula C92H56N8 and a molecular weight of 1273.52 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
PubChem CID139315614
Molecular FormulaC92H56N8
Molecular Weight1273.52 g/mol
Exact Mass1272.46
IUPAC Name3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
SMILESc1cc(-c2nc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)nc(-c6ccc(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)cc6)nc5c4)cc3)c3ccccc3n2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C92H56N8/c1-2-19-61-52-63(41-38-57(61)18-1)90-76-49-44-62(54-80(76)94-91(96-90)60-42-45-65(46-43-60)97-85-34-15-8-26-73(85)77-55-67(47-50-87(77)97)99-81-30-11-4-22-69(81)70-23-5-12-31-82(70)99)58-36-39-59(40-37-58)89-75-28-3-10-29-79(75)93-92(95-89)64-20-17-21-66(53-64)98-86-35-16-9-27-74(86)78-56-68(48-51-88(78)98)100-83-32-13-6-24-71(83)72-25-7-14-33-84(72)100/h1-56H
InChIKeyMRZHHPWKBSVTRF-UHFFFAOYSA-N
XLogP23.45
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms100
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001273.52
LogP ≤ 523.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole (CID 139315614) is 3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole is c1cc(-c2nc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)nc(-c6ccc(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)cc6)nc5c4)cc3)c3ccccc3n2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole?
The InChIKey is MRZHHPWKBSVTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H56N8/c1-2-19-61-52-63(41-38-57(61)18-1)90-76-49-44-62(54-80(76)94-91(96-90)60-42-45-65(46-43-60)97-85-34-15-8-26-73(85)77-55-67(47-50-87(77)97)99-81-30-11-4-22-69(81)70-23-5-12-31-82(70)99)58-36-39-59(40-37-58)89-75-28-3-10-29-79(75)93-92(95-89)64-20-17-21-66(53-64)98-86-35-16-9-27-74(86)78-56-68(48-51-88(78)98)100-83-32-13-6-24-71(83)72-25-7-14-33-84(72)100/h1-56H.
What are the key properties of 3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole?
3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole has a molecular weight of 1273.52 g/mol, XLogP of 23.45, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole is sourced from PubChem (CID 139315614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).