5-[4-[4-[3-[4-[7-[4-(4-benzo[b]carbazol-5-yl-2-dibenzofuran-1-ylphenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]phenanthren-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzofuran-1-ylphenyl]benzo[b]carbazole

C126H74N8O2 — CID 163664538

IUPAC5-[4-[4-[3-[4-[7-[4-(4-benzo[b]carbazol-5-yl-2-dibenzofuran-1-ylphenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]phenanthren-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzofuran-1-ylphenyl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc(-c6ccc7c(ccc8cc(-c9nc(-c%10ccc%11c(ccc%12ccccc%12%11)c%10)nc(-c%10ccc(-n%11c%12ccccc%12c%12cc%13ccccc%13cc%12%11)cc%10-c%10cccc%11oc%12ccccc%12c%10%11)n9)ccc87)c6)cc5)c4)nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4-c4cccc5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C126H74N8O2/c1-2-21-75(22-3-1)76-47-50-80(51-48-76)121-127-122(130-125(129-121)103-63-58-93(73-107(103)101-35-19-41-117-119(101)105-33-12-16-39-115(105)135-117)133-111-37-14-10-31-99(111)109-69-82-24-4-6-26-84(82)71-113(109)133)90-29-18-28-81(66-90)77-43-45-78(46-44-77)86-55-60-97-87(65-86)53-54-89-68-92(57-62-98(89)97)124-128-123(91-56-61-96-88(67-91)52-49-79-23-8-9-30-95(79)96)131-126(132-124)104-64-59-94(74-108(104)102-36-20-42-118-120(102)106-34-13-17-40-116(106)136-118)134-112-38-15-11-32-100(112)110-70-83-25-5-7-27-85(83)72-114(110)134/h1-74H
InChIKeyIXGOLNAPFISECC-UHFFFAOYSA-N
MW1732.03 g/mol
LogP33.31
Rot. Bonds13

About 5-[4-[4-[3-[4-[7-[4-(4-benzo[b]carbazol-5-yl-2-dibenzofuran-1-ylphenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]phenanthren-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzofuran-1-ylphenyl]benzo[b]carbazole

5-[4-[4-[3-[4-[7-[4-(4-benzo[b]carbazol-5-yl-2-dibenzofuran-1-ylphenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]phenanthren-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzofuran-1-ylphenyl]benzo[b]carbazole (PubChem CID 163664538) has the molecular formula C126H74N8O2 and a molecular weight of 1732.03 g/mol. Its IUPAC name is 5-[4-[4-[3-[4-[7-[4-(4-benzo[b]carbazol-5-yl-2-dibenzofuran-1-ylphenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]phenanthren-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzofuran-1-ylphenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-[4-[3-[4-[7-[4-(4-benzo[b]carbazol-5-yl-2-dibenzofuran-1-ylphenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]phenanthren-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzofuran-1-ylphenyl]benzo[b]carbazole
PubChem CID163664538
Molecular FormulaC126H74N8O2
Molecular Weight1732.03 g/mol
Exact Mass1730.59
IUPAC Name5-[4-[4-[3-[4-[7-[4-(4-benzo[b]carbazol-5-yl-2-dibenzofuran-1-ylphenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]phenanthren-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzofuran-1-ylphenyl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc(-c6ccc7c(ccc8cc(-c9nc(-c%10ccc%11c(ccc%12ccccc%12%11)c%10)nc(-c%10ccc(-n%11c%12ccccc%12c%12cc%13ccccc%13cc%12%11)cc%10-c%10cccc%11oc%12ccccc%12c%10%11)n9)ccc87)c6)cc5)c4)nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4-c4cccc5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C126H74N8O2/c1-2-21-75(22-3-1)76-47-50-80(51-48-76)121-127-122(130-125(129-121)103-63-58-93(73-107(103)101-35-19-41-117-119(101)105-33-12-16-39-115(105)135-117)133-111-37-14-10-31-99(111)109-69-82-24-4-6-26-84(82)71-113(109)133)90-29-18-28-81(66-90)77-43-45-78(46-44-77)86-55-60-97-87(65-86)53-54-89-68-92(57-62-98(89)97)124-128-123(91-56-61-96-88(67-91)52-49-79-23-8-9-30-95(79)96)131-126(132-124)104-64-59-94(74-108(104)102-36-20-42-118-120(102)106-34-13-17-40-116(106)136-118)134-112-38-15-11-32-100(112)110-70-83-25-5-7-27-85(83)72-114(110)134/h1-74H
InChIKeyIXGOLNAPFISECC-UHFFFAOYSA-N
XLogP33.31
TPSA113.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001732.03
LogP ≤ 533.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[4-[4-[3-[4-[7-[4-(4-benzo[b]carbazol-5-yl-2-dibenzofuran-1-ylphenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]phenanthren-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzofuran-1-ylphenyl]benzo[b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[3-[4-[7-[4-(4-benzo[b]carbazol-5-yl-2-dibenzofuran-1-ylphenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]phenanthren-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzofuran-1-ylphenyl]benzo[b]carbazole?
The IUPAC name of 5-[4-[4-[3-[4-[7-[4-(4-benzo[b]carbazol-5-yl-2-dibenzofuran-1-ylphenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]phenanthren-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzofuran-1-ylphenyl]benzo[b]carbazole (CID 163664538) is 5-[4-[4-[3-[4-[7-[4-(4-benzo[b]carbazol-5-yl-2-dibenzofuran-1-ylphenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]phenanthren-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzofuran-1-ylphenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-[4-[3-[4-[7-[4-(4-benzo[b]carbazol-5-yl-2-dibenzofuran-1-ylphenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]phenanthren-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzofuran-1-ylphenyl]benzo[b]carbazole?
The canonical SMILES for 5-[4-[4-[3-[4-[7-[4-(4-benzo[b]carbazol-5-yl-2-dibenzofuran-1-ylphenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]phenanthren-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzofuran-1-ylphenyl]benzo[b]carbazole is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc(-c6ccc7c(ccc8cc(-c9nc(-c%10ccc%11c(ccc%12ccccc%12%11)c%10)nc(-c%10ccc(-n%11c%12ccccc%12c%12cc%13ccccc%13cc%12%11)cc%10-c%10cccc%11oc%12ccccc%12c%10%11)n9)ccc87)c6)cc5)c4)nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4-c4cccc5oc6ccccc6c45)n3)cc2)cc1.
What is the InChIKey of 5-[4-[4-[3-[4-[7-[4-(4-benzo[b]carbazol-5-yl-2-dibenzofuran-1-ylphenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]phenanthren-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzofuran-1-ylphenyl]benzo[b]carbazole?
The InChIKey is IXGOLNAPFISECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H74N8O2/c1-2-21-75(22-3-1)76-47-50-80(51-48-76)121-127-122(130-125(129-121)103-63-58-93(73-107(103)101-35-19-41-117-119(101)105-33-12-16-39-115(105)135-117)133-111-37-14-10-31-99(111)109-69-82-24-4-6-26-84(82)71-113(109)133)90-29-18-28-81(66-90)77-43-45-78(46-44-77)86-55-60-97-87(65-86)53-54-89-68-92(57-62-98(89)97)124-128-123(91-56-61-96-88(67-91)52-49-79-23-8-9-30-95(79)96)131-126(132-124)104-64-59-94(74-108(104)102-36-20-42-118-120(102)106-34-13-17-40-116(106)136-118)134-112-38-15-11-32-100(112)110-70-83-25-5-7-27-85(83)72-114(110)134/h1-74H.
What are the key properties of 5-[4-[4-[3-[4-[7-[4-(4-benzo[b]carbazol-5-yl-2-dibenzofuran-1-ylphenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]phenanthren-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzofuran-1-ylphenyl]benzo[b]carbazole?
5-[4-[4-[3-[4-[7-[4-(4-benzo[b]carbazol-5-yl-2-dibenzofuran-1-ylphenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]phenanthren-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzofuran-1-ylphenyl]benzo[b]carbazole has a molecular weight of 1732.03 g/mol, XLogP of 33.31, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[3-[4-[7-[4-(4-benzo[b]carbazol-5-yl-2-dibenzofuran-1-ylphenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]phenanthren-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzofuran-1-ylphenyl]benzo[b]carbazole is sourced from PubChem (CID 163664538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).