25,25-dimethyl-5,17-bis(4-phenylphenyl)-1,21-diazaheptacyclo[19.3.1.02,7.08,24.011,23.014,22.015,20]pentacosa-2(7),3,5,8(24),9,11(23),12,14(22),15(20),16,18-undecaene

C49H34N2 — CID 149479699

IUPAC25,25-dimethyl-5,17-bis(4-phenylphenyl)-1,21-diazaheptacyclo[19.3.1.02,7.08,24.011,23.014,22.015,20]pentacosa-2(7),3,5,8(24),9,11(23),12,14(22),15(20),16,18-undecaene
SMILESCC1(C)n2c3ccc(-c4ccc(-c5ccccc5)cc4)cc3c3ccc4ccc5c6cc(-c7ccc(-c8ccccc8)cc7)ccc6n1c5c4c32
InChIInChI=1S/C49H34N2/c1-49(2)50-44-27-23-38(35-17-13-33(14-18-35)31-9-5-3-6-10-31)29-42(44)40-25-21-37-22-26-41-43-30-39(24-28-45(43)51(49)48(41)46(37)47(40)50)36-19-15-34(16-20-36)32-11-7-4-8-12-32/h3-30H,1-2H3
InChIKeyZCZSDJSTGSUGLD-UHFFFAOYSA-N
MW650.83 g/mol
LogP13.28
Rot. Bonds4

About 25,25-dimethyl-5,17-bis(4-phenylphenyl)-1,21-diazaheptacyclo[19.3.1.02,7.08,24.011,23.014,22.015,20]pentacosa-2(7),3,5,8(24),9,11(23),12,14(22),15(20),16,18-undecaene

25,25-dimethyl-5,17-bis(4-phenylphenyl)-1,21-diazaheptacyclo[19.3.1.02,7.08,24.011,23.014,22.015,20]pentacosa-2(7),3,5,8(24),9,11(23),12,14(22),15(20),16,18-undecaene (PubChem CID 149479699) has the molecular formula C49H34N2 and a molecular weight of 650.83 g/mol. Its IUPAC name is 25,25-dimethyl-5,17-bis(4-phenylphenyl)-1,21-diazaheptacyclo[19.3.1.02,7.08,24.011,23.014,22.015,20]pentacosa-2(7),3,5,8(24),9,11(23),12,14(22),15(20),16,18-undecaene.

Molecular Properties

Compound Name25,25-dimethyl-5,17-bis(4-phenylphenyl)-1,21-diazaheptacyclo[19.3.1.02,7.08,24.011,23.014,22.015,20]pentacosa-2(7),3,5,8(24),9,11(23),12,14(22),15(20),16,18-undecaene
PubChem CID149479699
Molecular FormulaC49H34N2
Molecular Weight650.83 g/mol
Exact Mass650.27
IUPAC Name25,25-dimethyl-5,17-bis(4-phenylphenyl)-1,21-diazaheptacyclo[19.3.1.02,7.08,24.011,23.014,22.015,20]pentacosa-2(7),3,5,8(24),9,11(23),12,14(22),15(20),16,18-undecaene
SMILESCC1(C)n2c3ccc(-c4ccc(-c5ccccc5)cc4)cc3c3ccc4ccc5c6cc(-c7ccc(-c8ccccc8)cc7)ccc6n1c5c4c32
InChIInChI=1S/C49H34N2/c1-49(2)50-44-27-23-38(35-17-13-33(14-18-35)31-9-5-3-6-10-31)29-42(44)40-25-21-37-22-26-41-43-30-39(24-28-45(43)51(49)48(41)46(37)47(40)50)36-19-15-34(16-20-36)32-11-7-4-8-12-32/h3-30H,1-2H3
InChIKeyZCZSDJSTGSUGLD-UHFFFAOYSA-N
XLogP13.28
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 25,25-dimethyl-5,17-bis(4-phenylphenyl)-1,21-diazaheptacyclo[19.3.1.02,7.08,24.011,23.014,22.015,20]pentacosa-2(7),3,5,8(24),9,11(23),12,14(22),15(20),16,18-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,9-dimethyl-6-phenylcarbazole
CID 59499447
16-(3-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene
CID 148871817
5-[4-[3-(18,18-dimethyl-14-pentacyclo[13.2.1.02,7.08,17.011,16]octadeca-2,4,6,8(17),9,11(16),12,14-octaenyl)-4-methylphenyl]phenyl]-25,25-dimethyl-1-azaheptacyclo[19.3.1.02,7.08,24.011,23.014,22.015,20]pentacosa-2(7),3,5,8(24),9,11(23),12,14(22),15,17,19-undecaene
CID 163931661
20-phenyl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),18(23),19,21-dodecaene
CID 146180263
11-triphenylen-2-yl-8,15-diazaoctacyclo[13.12.3.02,7.08,28.09,14.016,21.022,30.025,29]triaconta-1(28),2,4,6,9(14),10,12,16,18,20,22(30),23,25(29),26-tetradecaene
CID 163653944
3,10-bis(3,6-diphenylcarbazol-9-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 118137482
5-[3-(3-phenylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[4-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 158643632
12-[4-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999005
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 58142311
3,9-bis(3,5-diphenylphenyl)chrysene
CID 123616351
11-(4-fluoranthen-8-ylphenyl)-8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazole
CID 130304540

Frequently Asked Questions

What is the IUPAC name of 25,25-dimethyl-5,17-bis(4-phenylphenyl)-1,21-diazaheptacyclo[19.3.1.02,7.08,24.011,23.014,22.015,20]pentacosa-2(7),3,5,8(24),9,11(23),12,14(22),15(20),16,18-undecaene?
The IUPAC name of 25,25-dimethyl-5,17-bis(4-phenylphenyl)-1,21-diazaheptacyclo[19.3.1.02,7.08,24.011,23.014,22.015,20]pentacosa-2(7),3,5,8(24),9,11(23),12,14(22),15(20),16,18-undecaene (CID 149479699) is 25,25-dimethyl-5,17-bis(4-phenylphenyl)-1,21-diazaheptacyclo[19.3.1.02,7.08,24.011,23.014,22.015,20]pentacosa-2(7),3,5,8(24),9,11(23),12,14(22),15(20),16,18-undecaene.
What is the SMILES notation for 25,25-dimethyl-5,17-bis(4-phenylphenyl)-1,21-diazaheptacyclo[19.3.1.02,7.08,24.011,23.014,22.015,20]pentacosa-2(7),3,5,8(24),9,11(23),12,14(22),15(20),16,18-undecaene?
The canonical SMILES for 25,25-dimethyl-5,17-bis(4-phenylphenyl)-1,21-diazaheptacyclo[19.3.1.02,7.08,24.011,23.014,22.015,20]pentacosa-2(7),3,5,8(24),9,11(23),12,14(22),15(20),16,18-undecaene is CC1(C)n2c3ccc(-c4ccc(-c5ccccc5)cc4)cc3c3ccc4ccc5c6cc(-c7ccc(-c8ccccc8)cc7)ccc6n1c5c4c32.
What is the InChIKey of 25,25-dimethyl-5,17-bis(4-phenylphenyl)-1,21-diazaheptacyclo[19.3.1.02,7.08,24.011,23.014,22.015,20]pentacosa-2(7),3,5,8(24),9,11(23),12,14(22),15(20),16,18-undecaene?
The InChIKey is ZCZSDJSTGSUGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2/c1-49(2)50-44-27-23-38(35-17-13-33(14-18-35)31-9-5-3-6-10-31)29-42(44)40-25-21-37-22-26-41-43-30-39(24-28-45(43)51(49)48(41)46(37)47(40)50)36-19-15-34(16-20-36)32-11-7-4-8-12-32/h3-30H,1-2H3.
What are the key properties of 25,25-dimethyl-5,17-bis(4-phenylphenyl)-1,21-diazaheptacyclo[19.3.1.02,7.08,24.011,23.014,22.015,20]pentacosa-2(7),3,5,8(24),9,11(23),12,14(22),15(20),16,18-undecaene?
25,25-dimethyl-5,17-bis(4-phenylphenyl)-1,21-diazaheptacyclo[19.3.1.02,7.08,24.011,23.014,22.015,20]pentacosa-2(7),3,5,8(24),9,11(23),12,14(22),15(20),16,18-undecaene has a molecular weight of 650.83 g/mol, XLogP of 13.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 25,25-dimethyl-5,17-bis(4-phenylphenyl)-1,21-diazaheptacyclo[19.3.1.02,7.08,24.011,23.014,22.015,20]pentacosa-2(7),3,5,8(24),9,11(23),12,14(22),15(20),16,18-undecaene is sourced from PubChem (CID 149479699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).