3-phenyl-14-(4-phenylphenyl)-3,14,18,21-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4,6,8,11,15,17(22),18,23-nonaene

C38H28N4 — CID 129305346

IUPAC3-phenyl-14-(4-phenylphenyl)-3,14,18,21-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4,6,8,11,15,17(22),18,23-nonaene
SMILESC1=CC2C(c3cc4c(cc3N2c2ccc(-c3ccccc3)cc2)N=CCN4)c2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C38H28N4/c1-3-9-25(10-4-1)26-15-17-28(18-16-26)41-35-20-19-30-29-13-7-8-14-34(29)42(27-11-5-2-6-12-27)38(30)37(35)31-23-32-33(24-36(31)41)40-22-21-39-32/h1-20,22-24,35,37,39H,21H2
InChIKeySBLYXDYBXBRKPU-UHFFFAOYSA-N
MW540.67 g/mol
LogP9.10
Rot. Bonds3

About 3-phenyl-14-(4-phenylphenyl)-3,14,18,21-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4,6,8,11,15,17(22),18,23-nonaene

3-phenyl-14-(4-phenylphenyl)-3,14,18,21-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4,6,8,11,15,17(22),18,23-nonaene (PubChem CID 129305346) has the molecular formula C38H28N4 and a molecular weight of 540.67 g/mol. Its IUPAC name is 3-phenyl-14-(4-phenylphenyl)-3,14,18,21-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4,6,8,11,15,17(22),18,23-nonaene.

Molecular Properties

Compound Name3-phenyl-14-(4-phenylphenyl)-3,14,18,21-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4,6,8,11,15,17(22),18,23-nonaene
PubChem CID129305346
Molecular FormulaC38H28N4
Molecular Weight540.67 g/mol
Exact Mass540.23
IUPAC Name3-phenyl-14-(4-phenylphenyl)-3,14,18,21-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4,6,8,11,15,17(22),18,23-nonaene
SMILESC1=CC2C(c3cc4c(cc3N2c2ccc(-c3ccccc3)cc2)N=CCN4)c2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C38H28N4/c1-3-9-25(10-4-1)26-15-17-28(18-16-26)41-35-20-19-30-29-13-7-8-14-34(29)42(27-11-5-2-6-12-27)38(30)37(35)31-23-32-33(24-36(31)41)40-22-21-39-32/h1-20,22-24,35,37,39H,21H2
InChIKeySBLYXDYBXBRKPU-UHFFFAOYSA-N
XLogP9.10
TPSA32.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.67
LogP ≤ 59.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-14-(4-phenylphenyl)-3,14,18,21-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4,6,8,11,15,17(22),18,23-nonaene with MolForge

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Related Compounds

14,25-bis(3-phenylphenyl)-14,25-diazahexacyclo[13.11.0.02,7.08,13.018,26.019,24]hexacosa-2(7),3,8,10,12,16,18(26),19,21,23-decaene
CID 170097250
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
(2R)-1,2-dimethyl-9-phenyl-1,2-dihydrocarbazole
CID 70929960
2-[(2R)-9-phenyl-1,2-dihydrocarbazol-2-yl]-9-(4-phenylphenyl)carbazole
CID 118189717
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
12-[6-(11,11a-dihydro-6aH-indolo[2,3-a]carbazol-12-yl)-4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
CID 122626271
3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole
CID 174244045
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
24-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,18,20,22,26-undecaene
CID 145268651
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140
11-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 134416527
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-14-(4-phenylphenyl)-3,14,18,21-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4,6,8,11,15,17(22),18,23-nonaene?
The IUPAC name of 3-phenyl-14-(4-phenylphenyl)-3,14,18,21-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4,6,8,11,15,17(22),18,23-nonaene (CID 129305346) is 3-phenyl-14-(4-phenylphenyl)-3,14,18,21-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4,6,8,11,15,17(22),18,23-nonaene.
What is the SMILES notation for 3-phenyl-14-(4-phenylphenyl)-3,14,18,21-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4,6,8,11,15,17(22),18,23-nonaene?
The canonical SMILES for 3-phenyl-14-(4-phenylphenyl)-3,14,18,21-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4,6,8,11,15,17(22),18,23-nonaene is C1=CC2C(c3cc4c(cc3N2c2ccc(-c3ccccc3)cc2)N=CCN4)c2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of 3-phenyl-14-(4-phenylphenyl)-3,14,18,21-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4,6,8,11,15,17(22),18,23-nonaene?
The InChIKey is SBLYXDYBXBRKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N4/c1-3-9-25(10-4-1)26-15-17-28(18-16-26)41-35-20-19-30-29-13-7-8-14-34(29)42(27-11-5-2-6-12-27)38(30)37(35)31-23-32-33(24-36(31)41)40-22-21-39-32/h1-20,22-24,35,37,39H,21H2.
What are the key properties of 3-phenyl-14-(4-phenylphenyl)-3,14,18,21-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4,6,8,11,15,17(22),18,23-nonaene?
3-phenyl-14-(4-phenylphenyl)-3,14,18,21-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4,6,8,11,15,17(22),18,23-nonaene has a molecular weight of 540.67 g/mol, XLogP of 9.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-14-(4-phenylphenyl)-3,14,18,21-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4,6,8,11,15,17(22),18,23-nonaene is sourced from PubChem (CID 129305346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).