N-phenyl-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine

C54H34N4O — CID 155335724

IUPACN-phenyl-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc4c5ccc6c(c7ccccc7n6-c6nc(-c7ccccc7)c7ccccc7n6)c5oc4c4ccccc34)cc2)cc1
InChIInChI=1S/C54H34N4O/c1-4-16-35(17-5-1)36-28-30-39(31-29-36)57(38-20-8-3-9-21-38)49-34-45-42-32-33-48-50(53(42)59-52(45)41-23-11-10-22-40(41)49)44-25-13-15-27-47(44)58(48)54-55-46-26-14-12-24-43(46)51(56-54)37-18-6-2-7-19-37/h1-34H
InChIKeyWNSZLXCSLFISCY-UHFFFAOYSA-N
MW754.89 g/mol
LogP14.58
Rot. Bonds6

About N-phenyl-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine

N-phenyl-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine (PubChem CID 155335724) has the molecular formula C54H34N4O and a molecular weight of 754.89 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine
PubChem CID155335724
Molecular FormulaC54H34N4O
Molecular Weight754.89 g/mol
Exact Mass754.27
IUPAC NameN-phenyl-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc4c5ccc6c(c7ccccc7n6-c6nc(-c7ccccc7)c7ccccc7n6)c5oc4c4ccccc34)cc2)cc1
InChIInChI=1S/C54H34N4O/c1-4-16-35(17-5-1)36-28-30-39(31-29-36)57(38-20-8-3-9-21-38)49-34-45-42-32-33-48-50(53(42)59-52(45)41-23-11-10-22-40(41)49)44-25-13-15-27-47(44)58(48)54-55-46-26-14-12-24-43(46)51(56-54)37-18-6-2-7-19-37/h1-34H
InChIKeyWNSZLXCSLFISCY-UHFFFAOYSA-N
XLogP14.58
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.89
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-phenyl-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine with MolForge

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Related Compounds

21-carbazol-9-yl-9-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 155335550
3-phenyl-5-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 118283324
3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 130350871
21-dibenzofuran-3-yl-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 155335501
15-naphthalen-1-yl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 126677767
5-(4-phenylquinazolin-2-yl)-3-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 118283315
5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146215678
9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215710
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134509708
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 155335480
16-carbazol-9-yl-9-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 155335747
24-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126678232

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine?
The IUPAC name of N-phenyl-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine (CID 155335724) is N-phenyl-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine.
What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine?
The canonical SMILES for N-phenyl-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cc4c5ccc6c(c7ccccc7n6-c6nc(-c7ccccc7)c7ccccc7n6)c5oc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-phenyl-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine?
The InChIKey is WNSZLXCSLFISCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4O/c1-4-16-35(17-5-1)36-28-30-39(31-29-36)57(38-20-8-3-9-21-38)49-34-45-42-32-33-48-50(53(42)59-52(45)41-23-11-10-22-40(41)49)44-25-13-15-27-47(44)58(48)54-55-46-26-14-12-24-43(46)51(56-54)37-18-6-2-7-19-37/h1-34H.
What are the key properties of N-phenyl-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine?
N-phenyl-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine has a molecular weight of 754.89 g/mol, XLogP of 14.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine is sourced from PubChem (CID 155335724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).