9-[2-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-(7,9-diphenyl-4b,8a-dihydrocarbazol-4-yl)carbazole

C75H51N5O — CID 174270597

IUPAC9-[2-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-(7,9-diphenyl-4b,8a-dihydrocarbazol-4-yl)carbazole
SMILESC1=CC2c3c(-c4cccc5c4c4ccccc4n5-c4cc(-c5ccccc5)ccc4C4N=C(c5ccc(-c6ccccc6)cc5)N=C(c5cccc6c5oc5ccccc56)N4)cccc3N(c3ccccc3)C2C=C1c1ccccc1
InChIInChI=1S/C75H51N5O/c1-5-20-48(21-6-1)51-38-40-52(41-39-51)73-76-74(78-75(77-73)63-33-17-32-59-56-28-14-16-37-69(56)81-72(59)63)62-45-43-54(50-24-9-3-10-25-50)47-68(62)80-64-34-15-13-29-60(64)70-57(31-19-36-66(70)80)58-30-18-35-65-71(58)61-44-42-53(49-22-7-2-8-23-49)46-67(61)79(65)55-26-11-4-12-27-55/h1-47,61,67,74H,(H,76,77,78)
InChIKeyNKBGNQVOZZCNLH-UHFFFAOYSA-N
MW1038.27 g/mol
LogP18.44
Rot. Bonds9

About 9-[2-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-(7,9-diphenyl-4b,8a-dihydrocarbazol-4-yl)carbazole

9-[2-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-(7,9-diphenyl-4b,8a-dihydrocarbazol-4-yl)carbazole (PubChem CID 174270597) has the molecular formula C75H51N5O and a molecular weight of 1038.27 g/mol. Its IUPAC name is 9-[2-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-(7,9-diphenyl-4b,8a-dihydrocarbazol-4-yl)carbazole.

Molecular Properties

Compound Name9-[2-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-(7,9-diphenyl-4b,8a-dihydrocarbazol-4-yl)carbazole
PubChem CID174270597
Molecular FormulaC75H51N5O
Molecular Weight1038.27 g/mol
Exact Mass1037.41
IUPAC Name9-[2-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-(7,9-diphenyl-4b,8a-dihydrocarbazol-4-yl)carbazole
SMILESC1=CC2c3c(-c4cccc5c4c4ccccc4n5-c4cc(-c5ccccc5)ccc4C4N=C(c5ccc(-c6ccccc6)cc5)N=C(c5cccc6c5oc5ccccc56)N4)cccc3N(c3ccccc3)C2C=C1c1ccccc1
InChIInChI=1S/C75H51N5O/c1-5-20-48(21-6-1)51-38-40-52(41-39-51)73-76-74(78-75(77-73)63-33-17-32-59-56-28-14-16-37-69(56)81-72(59)63)62-45-43-54(50-24-9-3-10-25-50)47-68(62)80-64-34-15-13-29-60(64)70-57(31-19-36-66(70)80)58-30-18-35-65-71(58)61-44-42-53(49-22-7-2-8-23-49)46-67(61)79(65)55-26-11-4-12-27-55/h1-47,61,67,74H,(H,76,77,78)
InChIKeyNKBGNQVOZZCNLH-UHFFFAOYSA-N
XLogP18.44
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001038.27
LogP ≤ 518.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[2-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-(7,9-diphenyl-4b,8a-dihydrocarbazol-4-yl)carbazole with MolForge

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Related Compounds

9-[2-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole
CID 174270418
9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174272126
4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032127
1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole
CID 174274955
5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174273713
9-[3-[6-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 136598017
4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174274174
3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 138513984
3-dibenzofuran-4-yl-9-[3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]carbazole
CID 170137075
9-[9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole
CID 163754260
4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174274036
5-[3-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155002339

Frequently Asked Questions

What is the IUPAC name of 9-[2-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-(7,9-diphenyl-4b,8a-dihydrocarbazol-4-yl)carbazole?
The IUPAC name of 9-[2-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-(7,9-diphenyl-4b,8a-dihydrocarbazol-4-yl)carbazole (CID 174270597) is 9-[2-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-(7,9-diphenyl-4b,8a-dihydrocarbazol-4-yl)carbazole.
What is the SMILES notation for 9-[2-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-(7,9-diphenyl-4b,8a-dihydrocarbazol-4-yl)carbazole?
The canonical SMILES for 9-[2-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-(7,9-diphenyl-4b,8a-dihydrocarbazol-4-yl)carbazole is C1=CC2c3c(-c4cccc5c4c4ccccc4n5-c4cc(-c5ccccc5)ccc4C4N=C(c5ccc(-c6ccccc6)cc5)N=C(c5cccc6c5oc5ccccc56)N4)cccc3N(c3ccccc3)C2C=C1c1ccccc1.
What is the InChIKey of 9-[2-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-(7,9-diphenyl-4b,8a-dihydrocarbazol-4-yl)carbazole?
The InChIKey is NKBGNQVOZZCNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H51N5O/c1-5-20-48(21-6-1)51-38-40-52(41-39-51)73-76-74(78-75(77-73)63-33-17-32-59-56-28-14-16-37-69(56)81-72(59)63)62-45-43-54(50-24-9-3-10-25-50)47-68(62)80-64-34-15-13-29-60(64)70-57(31-19-36-66(70)80)58-30-18-35-65-71(58)61-44-42-53(49-22-7-2-8-23-49)46-67(61)79(65)55-26-11-4-12-27-55/h1-47,61,67,74H,(H,76,77,78).
What are the key properties of 9-[2-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-(7,9-diphenyl-4b,8a-dihydrocarbazol-4-yl)carbazole?
9-[2-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-(7,9-diphenyl-4b,8a-dihydrocarbazol-4-yl)carbazole has a molecular weight of 1038.27 g/mol, XLogP of 18.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-(7,9-diphenyl-4b,8a-dihydrocarbazol-4-yl)carbazole is sourced from PubChem (CID 174270597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).