23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene

C54H35N — CID 121446881

IUPAC23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3-c3cc(-c5ccccc5)cc5c6cc(-c7cccc(-c8ccccc8)c7)ccc6n-4c35)c2)cc1
InChIInChI=1S/C54H35N/c1-4-14-36(15-5-1)39-20-12-22-41(30-39)43-26-28-52-48(32-43)46-24-10-11-25-47(46)50-34-45(38-18-8-3-9-19-38)35-51-49-33-44(27-29-53(49)55(52)54(50)51)42-23-13-21-40(31-42)37-16-6-2-7-17-37/h1-35H
InChIKeyAULLIQSZOGZJRC-UHFFFAOYSA-N
MW697.88 g/mol
LogP14.77
Rot. Bonds5

About 23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene

23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene (PubChem CID 121446881) has the molecular formula C54H35N and a molecular weight of 697.88 g/mol. Its IUPAC name is 23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene.

Molecular Properties

Compound Name23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene
PubChem CID121446881
Molecular FormulaC54H35N
Molecular Weight697.88 g/mol
Exact Mass697.28
IUPAC Name23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3-c3cc(-c5ccccc5)cc5c6cc(-c7cccc(-c8ccccc8)c7)ccc6n-4c35)c2)cc1
InChIInChI=1S/C54H35N/c1-4-14-36(15-5-1)39-20-12-22-41(30-39)43-26-28-52-48(32-43)46-24-10-11-25-47(46)50-34-45(38-18-8-3-9-19-38)35-51-49-33-44(27-29-53(49)55(52)54(50)51)42-23-13-21-40(31-42)37-16-6-2-7-17-37/h1-35H
InChIKeyAULLIQSZOGZJRC-UHFFFAOYSA-N
XLogP14.77
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.88
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene with MolForge

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Related Compounds

10-phenyl-23-[4-[9-[3-(4-phenylphenyl)phenyl]phenanthren-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 145085570
N,N-diphenyl-4-[23-[4-(N-phenylanilino)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-dodecaen-18-yl]aniline
CID 121386055
10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121446866
27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene
CID 121355785
23-carbazol-9-yl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121446892
9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
CID 126503570
10-phenyl-18-[4-[9-(3-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene
CID 145085485
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590699
9-[2-[2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 155636664
9-[3-[3-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 162500632

Frequently Asked Questions

What is the IUPAC name of 23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene?
The IUPAC name of 23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene (CID 121446881) is 23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene.
What is the SMILES notation for 23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene?
The canonical SMILES for 23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene is c1ccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3-c3cc(-c5ccccc5)cc5c6cc(-c7cccc(-c8ccccc8)c7)ccc6n-4c35)c2)cc1.
What is the InChIKey of 23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene?
The InChIKey is AULLIQSZOGZJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N/c1-4-14-36(15-5-1)39-20-12-22-41(30-39)43-26-28-52-48(32-43)46-24-10-11-25-47(46)50-34-45(38-18-8-3-9-19-38)35-51-49-33-44(27-29-53(49)55(52)54(50)51)42-23-13-21-40(31-42)37-16-6-2-7-17-37/h1-35H.
What are the key properties of 23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene?
23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene has a molecular weight of 697.88 g/mol, XLogP of 14.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene is sourced from PubChem (CID 121446881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).