6-[4-(3-phenylphenyl)phenyl]-6,21-diazaoctacyclo[19.10.1.02,14.05,13.07,12.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5(13),7,9,11,15,17,19,22,24,26,28(32),29-pentadecaene

C48H30N2 — CID 126700294

IUPAC6-[4-(3-phenylphenyl)phenyl]-6,21-diazaoctacyclo[19.10.1.02,14.05,13.07,12.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5(13),7,9,11,15,17,19,22,24,26,28(32),29-pentadecaene
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4cccc5c7ccccc7n(c45)-c4ccccc4-6)cc3)c2)cc1
InChIInChI=1S/C48H30N2/c1-2-12-31(13-3-1)33-14-10-15-34(30-33)32-24-26-35(27-25-32)49-43-22-8-6-18-41(43)47-45(49)29-28-37-39-20-11-19-38-36-16-4-7-21-42(36)50(48(38)39)44-23-9-5-17-40(44)46(37)47/h1-30H
InChIKeyWAPBZTLUKCXWQN-UHFFFAOYSA-N
MW634.78 g/mol
LogP12.86
Rot. Bonds3

About 6-[4-(3-phenylphenyl)phenyl]-6,21-diazaoctacyclo[19.10.1.02,14.05,13.07,12.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5(13),7,9,11,15,17,19,22,24,26,28(32),29-pentadecaene

6-[4-(3-phenylphenyl)phenyl]-6,21-diazaoctacyclo[19.10.1.02,14.05,13.07,12.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5(13),7,9,11,15,17,19,22,24,26,28(32),29-pentadecaene (PubChem CID 126700294) has the molecular formula C48H30N2 and a molecular weight of 634.78 g/mol. Its IUPAC name is 6-[4-(3-phenylphenyl)phenyl]-6,21-diazaoctacyclo[19.10.1.02,14.05,13.07,12.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5(13),7,9,11,15,17,19,22,24,26,28(32),29-pentadecaene.

Molecular Properties

Compound Name6-[4-(3-phenylphenyl)phenyl]-6,21-diazaoctacyclo[19.10.1.02,14.05,13.07,12.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5(13),7,9,11,15,17,19,22,24,26,28(32),29-pentadecaene
PubChem CID126700294
Molecular FormulaC48H30N2
Molecular Weight634.78 g/mol
Exact Mass634.24
IUPAC Name6-[4-(3-phenylphenyl)phenyl]-6,21-diazaoctacyclo[19.10.1.02,14.05,13.07,12.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5(13),7,9,11,15,17,19,22,24,26,28(32),29-pentadecaene
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4cccc5c7ccccc7n(c45)-c4ccccc4-6)cc3)c2)cc1
InChIInChI=1S/C48H30N2/c1-2-12-31(13-3-1)33-14-10-15-34(30-33)32-24-26-35(27-25-32)49-43-22-8-6-18-41(43)47-45(49)29-28-37-39-20-11-19-38-36-16-4-7-21-42(36)50(48(38)39)44-23-9-5-17-40(44)46(37)47/h1-30H
InChIKeyWAPBZTLUKCXWQN-UHFFFAOYSA-N
XLogP12.86
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.78
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[4-(3-phenylphenyl)phenyl]-6,21-diazaoctacyclo[19.10.1.02,14.05,13.07,12.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5(13),7,9,11,15,17,19,22,24,26,28(32),29-pentadecaene with MolForge

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Related Compounds

5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
CID 154590271
18-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene
CID 121386081
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 164821252
3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole
CID 90321729
12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole
CID 176831437
12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 176831298
5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319559
4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 166660662
5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole
CID 171596813
3-(9-phenylcarbazol-3-yl)-9-[2-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 161191083
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-phenylphenyl)phenyl]-6,21-diazaoctacyclo[19.10.1.02,14.05,13.07,12.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5(13),7,9,11,15,17,19,22,24,26,28(32),29-pentadecaene?
The IUPAC name of 6-[4-(3-phenylphenyl)phenyl]-6,21-diazaoctacyclo[19.10.1.02,14.05,13.07,12.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5(13),7,9,11,15,17,19,22,24,26,28(32),29-pentadecaene (CID 126700294) is 6-[4-(3-phenylphenyl)phenyl]-6,21-diazaoctacyclo[19.10.1.02,14.05,13.07,12.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5(13),7,9,11,15,17,19,22,24,26,28(32),29-pentadecaene.
What is the SMILES notation for 6-[4-(3-phenylphenyl)phenyl]-6,21-diazaoctacyclo[19.10.1.02,14.05,13.07,12.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5(13),7,9,11,15,17,19,22,24,26,28(32),29-pentadecaene?
The canonical SMILES for 6-[4-(3-phenylphenyl)phenyl]-6,21-diazaoctacyclo[19.10.1.02,14.05,13.07,12.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5(13),7,9,11,15,17,19,22,24,26,28(32),29-pentadecaene is c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4cccc5c7ccccc7n(c45)-c4ccccc4-6)cc3)c2)cc1.
What is the InChIKey of 6-[4-(3-phenylphenyl)phenyl]-6,21-diazaoctacyclo[19.10.1.02,14.05,13.07,12.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5(13),7,9,11,15,17,19,22,24,26,28(32),29-pentadecaene?
The InChIKey is WAPBZTLUKCXWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2/c1-2-12-31(13-3-1)33-14-10-15-34(30-33)32-24-26-35(27-25-32)49-43-22-8-6-18-41(43)47-45(49)29-28-37-39-20-11-19-38-36-16-4-7-21-42(36)50(48(38)39)44-23-9-5-17-40(44)46(37)47/h1-30H.
What are the key properties of 6-[4-(3-phenylphenyl)phenyl]-6,21-diazaoctacyclo[19.10.1.02,14.05,13.07,12.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5(13),7,9,11,15,17,19,22,24,26,28(32),29-pentadecaene?
6-[4-(3-phenylphenyl)phenyl]-6,21-diazaoctacyclo[19.10.1.02,14.05,13.07,12.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5(13),7,9,11,15,17,19,22,24,26,28(32),29-pentadecaene has a molecular weight of 634.78 g/mol, XLogP of 12.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-phenylphenyl)phenyl]-6,21-diazaoctacyclo[19.10.1.02,14.05,13.07,12.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5(13),7,9,11,15,17,19,22,24,26,28(32),29-pentadecaene is sourced from PubChem (CID 126700294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).