10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene

C28H18N4 — CID 123184243

IUPAC10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
SMILESc1ccc(-n2c3cnccc3c3cc4c(cc32)c2ccncc2n4-c2ccccc2)cc1
InChIInChI=1S/C28H18N4/c1-3-7-19(8-4-1)31-25-15-24-22-12-14-30-18-28(22)32(20-9-5-2-6-10-20)26(24)16-23(25)21-11-13-29-17-27(21)31/h1-18H
InChIKeyVEUJHOYBNWRXFF-UHFFFAOYSA-N
MW410.48 g/mol
LogP6.67
Rot. Bonds2

About 10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene

10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene (PubChem CID 123184243) has the molecular formula C28H18N4 and a molecular weight of 410.48 g/mol. Its IUPAC name is 10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene.

Molecular Properties

Compound Name10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
PubChem CID123184243
Molecular FormulaC28H18N4
Molecular Weight410.48 g/mol
Exact Mass410.15
IUPAC Name10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
SMILESc1ccc(-n2c3cnccc3c3cc4c(cc32)c2ccncc2n4-c2ccccc2)cc1
InChIInChI=1S/C28H18N4/c1-3-7-19(8-4-1)31-25-15-24-22-12-14-30-18-28(22)32(20-9-5-2-6-10-20)26(24)16-23(25)21-11-13-29-17-27(21)31/h1-18H
InChIKeyVEUJHOYBNWRXFF-UHFFFAOYSA-N
XLogP6.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene with MolForge

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Related Compounds

10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 139575264
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
diphenyl-bis(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)silane
CID 67988486
18,22-diphenyl-5,8,11,18,22-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,23,25,27,29-tetradecaene
CID 159099860
5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole
CID 90336649
13,17-diphenyl-13,17,24,27,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene
CID 161441197
9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
CID 129221469
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
CID 90336623
9-(3-phenylphenyl)-6-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]pyrido[3,4-b]indole
CID 146187368
9-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
CID 129221348
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
20-phenyl-2,9,13,20-tetrazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.021,26]octacosa-1(17),3,5,7,9,11(16),12,14,18,21,23,25,27-tridecaene
CID 163695553

Frequently Asked Questions

What is the IUPAC name of 10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?
The IUPAC name of 10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene (CID 123184243) is 10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene.
What is the SMILES notation for 10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?
The canonical SMILES for 10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene is c1ccc(-n2c3cnccc3c3cc4c(cc32)c2ccncc2n4-c2ccccc2)cc1.
What is the InChIKey of 10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?
The InChIKey is VEUJHOYBNWRXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4/c1-3-7-19(8-4-1)31-25-15-24-22-12-14-30-18-28(22)32(20-9-5-2-6-10-20)26(24)16-23(25)21-11-13-29-17-27(21)31/h1-18H.
What are the key properties of 10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?
10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene has a molecular weight of 410.48 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene is sourced from PubChem (CID 123184243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).