2-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-[2-[3-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-hydroxyphenyl]propan-2-yl]phenol

C113H80N8O2 — CID 118185117

IUPAC2-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-[2-[3-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-hydroxyphenyl]propan-2-yl]phenol
SMILESC=C1c2ccc3c4c(ccc(c24)C(=C)N1c1cc(Cn2c4ccccc4c4ccccc42)cc(-n2c4ccccc4c4ccccc42)c1)C(=C)N(c1cc(C(C)(C)c2ccc(O)c(N4C(=C)c5ccc6c7c(ccc(c57)C4=C)C(=C)N(c4cc(Cn5c7ccccc7c7ccccc75)cc(-n5c7ccccc7c7ccccc75)c4)C6=C)c2)ccc1O)C3=C
InChIInChI=1S/C113H80N8O2/c1-65-81-45-49-85-69(5)118(70(6)86-50-46-82(109(81)111(85)86)66(2)116(65)77-55-73(63-114-97-35-19-11-27-89(97)90-28-12-20-36-98(90)114)57-79(61-77)120-101-39-23-15-31-93(101)94-32-16-24-40-102(94)120)105-59-75(43-53-107(105)122)113(9,10)76-44-54-108(123)106(60-76)119-71(7)87-51-47-83-67(3)117(68(4)84-48-52-88(72(119)8)112(87)110(83)84)78-56-74(64-115-99-37-21-13-29-91(99)92-30-14-22-38-100(92)115)58-80(62-78)121-103-41-25-17-33-95(103)96-34-18-26-42-104(96)121/h11-62,122-123H,1-8,63-64H2,9-10H3
InChIKeyFUUCWJNLZVAHTG-UHFFFAOYSA-N
MW1581.94 g/mol
LogP28.08
Rot. Bonds12

About 2-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-[2-[3-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-hydroxyphenyl]propan-2-yl]phenol

2-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-[2-[3-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-hydroxyphenyl]propan-2-yl]phenol (PubChem CID 118185117) has the molecular formula C113H80N8O2 and a molecular weight of 1581.94 g/mol. Its IUPAC name is 2-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-[2-[3-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-hydroxyphenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name2-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-[2-[3-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-hydroxyphenyl]propan-2-yl]phenol
PubChem CID118185117
Molecular FormulaC113H80N8O2
Molecular Weight1581.94 g/mol
Exact Mass1580.64
IUPAC Name2-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-[2-[3-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-hydroxyphenyl]propan-2-yl]phenol
SMILESC=C1c2ccc3c4c(ccc(c24)C(=C)N1c1cc(Cn2c4ccccc4c4ccccc42)cc(-n2c4ccccc4c4ccccc42)c1)C(=C)N(c1cc(C(C)(C)c2ccc(O)c(N4C(=C)c5ccc6c7c(ccc(c57)C4=C)C(=C)N(c4cc(Cn5c7ccccc7c7ccccc75)cc(-n5c7ccccc7c7ccccc75)c4)C6=C)c2)ccc1O)C3=C
InChIInChI=1S/C113H80N8O2/c1-65-81-45-49-85-69(5)118(70(6)86-50-46-82(109(81)111(85)86)66(2)116(65)77-55-73(63-114-97-35-19-11-27-89(97)90-28-12-20-36-98(90)114)57-79(61-77)120-101-39-23-15-31-93(101)94-32-16-24-40-102(94)120)105-59-75(43-53-107(105)122)113(9,10)76-44-54-108(123)106(60-76)119-71(7)87-51-47-83-67(3)117(68(4)84-48-52-88(72(119)8)112(87)110(83)84)78-56-74(64-115-99-37-21-13-29-91(99)92-30-14-22-38-100(92)115)58-80(62-78)121-103-41-25-17-33-95(103)96-34-18-26-42-104(96)121/h11-62,122-123H,1-8,63-64H2,9-10H3
InChIKeyFUUCWJNLZVAHTG-UHFFFAOYSA-N
XLogP28.08
TPSA73.14 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001581.94
LogP ≤ 528.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-[2-[3-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-hydroxyphenyl]propan-2-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-[2-[3-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-hydroxyphenyl]propan-2-yl]phenol?
The IUPAC name of 2-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-[2-[3-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-hydroxyphenyl]propan-2-yl]phenol (CID 118185117) is 2-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-[2-[3-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-hydroxyphenyl]propan-2-yl]phenol.
What is the SMILES notation for 2-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-[2-[3-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-hydroxyphenyl]propan-2-yl]phenol?
The canonical SMILES for 2-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-[2-[3-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-hydroxyphenyl]propan-2-yl]phenol is C=C1c2ccc3c4c(ccc(c24)C(=C)N1c1cc(Cn2c4ccccc4c4ccccc42)cc(-n2c4ccccc4c4ccccc42)c1)C(=C)N(c1cc(C(C)(C)c2ccc(O)c(N4C(=C)c5ccc6c7c(ccc(c57)C4=C)C(=C)N(c4cc(Cn5c7ccccc7c7ccccc75)cc(-n5c7ccccc7c7ccccc75)c4)C6=C)c2)ccc1O)C3=C.
What is the InChIKey of 2-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-[2-[3-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-hydroxyphenyl]propan-2-yl]phenol?
The InChIKey is FUUCWJNLZVAHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C113H80N8O2/c1-65-81-45-49-85-69(5)118(70(6)86-50-46-82(109(81)111(85)86)66(2)116(65)77-55-73(63-114-97-35-19-11-27-89(97)90-28-12-20-36-98(90)114)57-79(61-77)120-101-39-23-15-31-93(101)94-32-16-24-40-102(94)120)105-59-75(43-53-107(105)122)113(9,10)76-44-54-108(123)106(60-76)119-71(7)87-51-47-83-67(3)117(68(4)84-48-52-88(72(119)8)112(87)110(83)84)78-56-74(64-115-99-37-21-13-29-91(99)92-30-14-22-38-100(92)115)58-80(62-78)121-103-41-25-17-33-95(103)96-34-18-26-42-104(96)121/h11-62,122-123H,1-8,63-64H2,9-10H3.
What are the key properties of 2-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-[2-[3-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-hydroxyphenyl]propan-2-yl]phenol?
2-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-[2-[3-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-hydroxyphenyl]propan-2-yl]phenol has a molecular weight of 1581.94 g/mol, XLogP of 28.08, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-[2-[3-[13-[3-carbazol-9-yl-5-(carbazol-9-ylmethyl)phenyl]-5,7,12,14-tetramethylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-hydroxyphenyl]propan-2-yl]phenol is sourced from PubChem (CID 118185117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).