16-phenyl-N,N-bis(4-phenylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-20-amine

C51H34N4 — CID 142398641

IUPAC16-phenyl-N,N-bis(4-phenylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-20-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3nc5c6ccccc6c6ccccc6n5c3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C51H34N4/c1-4-14-35(15-5-1)37-24-28-40(29-25-37)53(41-30-26-38(27-31-41)36-16-6-2-7-17-36)42-32-33-48-46(34-42)49-51(54(48)39-18-8-3-9-19-39)55-47-23-13-12-21-44(47)43-20-10-11-22-45(43)50(55)52-49/h1-34H
InChIKeyIGEKSBYOKFTPQY-UHFFFAOYSA-N
MW702.86 g/mol
LogP13.54
Rot. Bonds6

About 16-phenyl-N,N-bis(4-phenylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-20-amine

16-phenyl-N,N-bis(4-phenylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-20-amine (PubChem CID 142398641) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 16-phenyl-N,N-bis(4-phenylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-20-amine.

Molecular Properties

Compound Name16-phenyl-N,N-bis(4-phenylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-20-amine
PubChem CID142398641
Molecular FormulaC51H34N4
Molecular Weight702.86 g/mol
Exact Mass702.28
IUPAC Name16-phenyl-N,N-bis(4-phenylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-20-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3nc5c6ccccc6c6ccccc6n5c3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C51H34N4/c1-4-14-35(15-5-1)37-24-28-40(29-25-37)53(41-30-26-38(27-31-41)36-16-6-2-7-17-36)42-32-33-48-46(34-42)49-51(54(48)39-18-8-3-9-19-39)55-47-23-13-12-21-44(47)43-20-10-11-22-45(43)50(55)52-49/h1-34H
InChIKeyIGEKSBYOKFTPQY-UHFFFAOYSA-N
XLogP13.54
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 16-phenyl-N,N-bis(4-phenylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-20-amine with MolForge

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Related Compounds

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N,9-diphenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-3-amine
CID 174257818
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 58651978
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]triphenylen-2-amine
CID 158886945
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
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N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
CID 118963227

Frequently Asked Questions

What is the IUPAC name of 16-phenyl-N,N-bis(4-phenylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-20-amine?
The IUPAC name of 16-phenyl-N,N-bis(4-phenylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-20-amine (CID 142398641) is 16-phenyl-N,N-bis(4-phenylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-20-amine.
What is the SMILES notation for 16-phenyl-N,N-bis(4-phenylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-20-amine?
The canonical SMILES for 16-phenyl-N,N-bis(4-phenylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-20-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3nc5c6ccccc6c6ccccc6n5c3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 16-phenyl-N,N-bis(4-phenylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-20-amine?
The InChIKey is IGEKSBYOKFTPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-4-14-35(15-5-1)37-24-28-40(29-25-37)53(41-30-26-38(27-31-41)36-16-6-2-7-17-36)42-32-33-48-46(34-42)49-51(54(48)39-18-8-3-9-19-39)55-47-23-13-12-21-44(47)43-20-10-11-22-45(43)50(55)52-49/h1-34H.
What are the key properties of 16-phenyl-N,N-bis(4-phenylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-20-amine?
16-phenyl-N,N-bis(4-phenylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-20-amine has a molecular weight of 702.86 g/mol, XLogP of 13.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-phenyl-N,N-bis(4-phenylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-20-amine is sourced from PubChem (CID 142398641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).