10-phenyl-6-[3-[6-phenyl-4-(22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaen-10-yl)-2-pyridinyl]phenyl]-22-(2-phenylpyrimidin-4-yl)-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene

C83H51N7 — CID 163754172

IUPAC10-phenyl-6-[3-[6-phenyl-4-(22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaen-10-yl)-2-pyridinyl]phenyl]-22-(2-phenylpyrimidin-4-yl)-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5cc6c(cc5cc43)c3ccccc3n6-c3ccccc3)cc(-c3cccc(-c4ccc5c(c4)c4cc6cc7c(cc6cc4n5-c4ccccc4)c4ccccc4n7-c4ccnc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C83H51N7/c1-5-20-52(21-6-1)72-50-63(89-75-34-17-14-31-65(75)68-43-57-46-78-67(42-58(57)47-79(68)89)64-30-13-16-33-74(64)87(78)61-26-9-3-10-27-61)51-73(85-72)56-25-19-24-54(40-56)55-36-37-77-70(41-55)71-45-60-49-81-69(44-59(60)48-80(71)88(77)62-28-11-4-12-29-62)66-32-15-18-35-76(66)90(81)82-38-39-84-83(86-82)53-22-7-2-8-23-53/h1-51H
InChIKeyLSOWLJJPHATVJK-UHFFFAOYSA-N
MW1146.37 g/mol
LogP21.23
Rot. Bonds8

About 10-phenyl-6-[3-[6-phenyl-4-(22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaen-10-yl)-2-pyridinyl]phenyl]-22-(2-phenylpyrimidin-4-yl)-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene

10-phenyl-6-[3-[6-phenyl-4-(22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaen-10-yl)-2-pyridinyl]phenyl]-22-(2-phenylpyrimidin-4-yl)-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene (PubChem CID 163754172) has the molecular formula C83H51N7 and a molecular weight of 1146.37 g/mol. Its IUPAC name is 10-phenyl-6-[3-[6-phenyl-4-(22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaen-10-yl)-2-pyridinyl]phenyl]-22-(2-phenylpyrimidin-4-yl)-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene.

Molecular Properties

Compound Name10-phenyl-6-[3-[6-phenyl-4-(22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaen-10-yl)-2-pyridinyl]phenyl]-22-(2-phenylpyrimidin-4-yl)-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene
PubChem CID163754172
Molecular FormulaC83H51N7
Molecular Weight1146.37 g/mol
Exact Mass1145.42
IUPAC Name10-phenyl-6-[3-[6-phenyl-4-(22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaen-10-yl)-2-pyridinyl]phenyl]-22-(2-phenylpyrimidin-4-yl)-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5cc6c(cc5cc43)c3ccccc3n6-c3ccccc3)cc(-c3cccc(-c4ccc5c(c4)c4cc6cc7c(cc6cc4n5-c4ccccc4)c4ccccc4n7-c4ccnc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C83H51N7/c1-5-20-52(21-6-1)72-50-63(89-75-34-17-14-31-65(75)68-43-57-46-78-67(42-58(57)47-79(68)89)64-30-13-16-33-74(64)87(78)61-26-9-3-10-27-61)51-73(85-72)56-25-19-24-54(40-56)55-36-37-77-70(41-55)71-45-60-49-81-69(44-59(60)48-80(71)88(77)62-28-11-4-12-29-62)66-32-15-18-35-76(66)90(81)82-38-39-84-83(86-82)53-22-7-2-8-23-53/h1-51H
InChIKeyLSOWLJJPHATVJK-UHFFFAOYSA-N
XLogP21.23
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001146.37
LogP ≤ 521.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-phenyl-6-[3-[6-phenyl-4-(22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaen-10-yl)-2-pyridinyl]phenyl]-22-(2-phenylpyrimidin-4-yl)-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
CID 90182892
2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
CID 90182893
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 170096012
2-[9-[4-[4-[3-(3,4-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118029035
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 159291307
5-phenyl-11-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]indolo[3,2-b]carbazole
CID 139496867
3-[9-(2,6-diphenylpyrimidin-4-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 88866627
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511179
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 159465989
3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 126764108
9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134242078
N,N-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazol-3-amine
CID 90182899

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-6-[3-[6-phenyl-4-(22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaen-10-yl)-2-pyridinyl]phenyl]-22-(2-phenylpyrimidin-4-yl)-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene?
The IUPAC name of 10-phenyl-6-[3-[6-phenyl-4-(22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaen-10-yl)-2-pyridinyl]phenyl]-22-(2-phenylpyrimidin-4-yl)-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene (CID 163754172) is 10-phenyl-6-[3-[6-phenyl-4-(22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaen-10-yl)-2-pyridinyl]phenyl]-22-(2-phenylpyrimidin-4-yl)-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene.
What is the SMILES notation for 10-phenyl-6-[3-[6-phenyl-4-(22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaen-10-yl)-2-pyridinyl]phenyl]-22-(2-phenylpyrimidin-4-yl)-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene?
The canonical SMILES for 10-phenyl-6-[3-[6-phenyl-4-(22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaen-10-yl)-2-pyridinyl]phenyl]-22-(2-phenylpyrimidin-4-yl)-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene is c1ccc(-c2cc(-n3c4ccccc4c4cc5cc6c(cc5cc43)c3ccccc3n6-c3ccccc3)cc(-c3cccc(-c4ccc5c(c4)c4cc6cc7c(cc6cc4n5-c4ccccc4)c4ccccc4n7-c4ccnc(-c5ccccc5)n4)c3)n2)cc1.
What is the InChIKey of 10-phenyl-6-[3-[6-phenyl-4-(22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaen-10-yl)-2-pyridinyl]phenyl]-22-(2-phenylpyrimidin-4-yl)-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene?
The InChIKey is LSOWLJJPHATVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H51N7/c1-5-20-52(21-6-1)72-50-63(89-75-34-17-14-31-65(75)68-43-57-46-78-67(42-58(57)47-79(68)89)64-30-13-16-33-74(64)87(78)61-26-9-3-10-27-61)51-73(85-72)56-25-19-24-54(40-56)55-36-37-77-70(41-55)71-45-60-49-81-69(44-59(60)48-80(71)88(77)62-28-11-4-12-29-62)66-32-15-18-35-76(66)90(81)82-38-39-84-83(86-82)53-22-7-2-8-23-53/h1-51H.
What are the key properties of 10-phenyl-6-[3-[6-phenyl-4-(22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaen-10-yl)-2-pyridinyl]phenyl]-22-(2-phenylpyrimidin-4-yl)-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene?
10-phenyl-6-[3-[6-phenyl-4-(22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaen-10-yl)-2-pyridinyl]phenyl]-22-(2-phenylpyrimidin-4-yl)-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene has a molecular weight of 1146.37 g/mol, XLogP of 21.23, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-6-[3-[6-phenyl-4-(22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaen-10-yl)-2-pyridinyl]phenyl]-22-(2-phenylpyrimidin-4-yl)-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 163754172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).