N-[4-(15,15-dimethyl-25-thia-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-11-yl)phenyl]-N-phenylnaphthalen-2-amine

C49H34N2S — CID 90270223

IUPACN-[4-(15,15-dimethyl-25-thia-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-11-yl)phenyl]-N-phenylnaphthalen-2-amine
SMILESCC1(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2-n2c3ccccc3c3c4sc5ccccc5c4cc1c32
InChIInChI=1S/C49H34N2S/c1-49(2)41-27-23-34(32-20-24-36(25-21-32)50(35-14-4-3-5-15-35)37-26-22-31-12-6-7-13-33(31)28-37)29-44(41)51-43-18-10-8-17-39(43)46-47(51)42(49)30-40-38-16-9-11-19-45(38)52-48(40)46/h3-30H,1-2H3
InChIKeyKXCULZIBEJYJCN-UHFFFAOYSA-N
MW682.89 g/mol
LogP14.08
Rot. Bonds4

About N-[4-(15,15-dimethyl-25-thia-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-11-yl)phenyl]-N-phenylnaphthalen-2-amine

N-[4-(15,15-dimethyl-25-thia-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-11-yl)phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 90270223) has the molecular formula C49H34N2S and a molecular weight of 682.89 g/mol. Its IUPAC name is N-[4-(15,15-dimethyl-25-thia-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-11-yl)phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(15,15-dimethyl-25-thia-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-11-yl)phenyl]-N-phenylnaphthalen-2-amine
PubChem CID90270223
Molecular FormulaC49H34N2S
Molecular Weight682.89 g/mol
Exact Mass682.24
IUPAC NameN-[4-(15,15-dimethyl-25-thia-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-11-yl)phenyl]-N-phenylnaphthalen-2-amine
SMILESCC1(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2-n2c3ccccc3c3c4sc5ccccc5c4cc1c32
InChIInChI=1S/C49H34N2S/c1-49(2)41-27-23-34(32-20-24-36(25-21-32)50(35-14-4-3-5-15-35)37-26-22-31-12-6-7-13-33(31)28-37)29-44(41)51-43-18-10-8-17-39(43)46-47(51)42(49)30-40-38-16-9-11-19-45(38)52-48(40)46/h3-30H,1-2H3
InChIKeyKXCULZIBEJYJCN-UHFFFAOYSA-N
XLogP14.08
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.89
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(15,15-dimethyl-25-thia-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-11-yl)phenyl]-N-phenylnaphthalen-2-amine with MolForge

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Related Compounds

N-[4-(15,15-dimethyl-25-thia-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19(24),20,22-dodecaen-22-yl)phenyl]-N,4-diphenylaniline
CID 90270179
N-[4-(15,15-dimethyl-25-thia-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-11-yl)phenyl]-N-phenyl-1,8a-dihydronaphthalen-1-amine
CID 90270218
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine
CID 156520484
N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 70893086
N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159972632
N-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 135164558
5-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1-N,3-N-diphenyl-1-N,3-N-bis(6-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 88873421
7-carbazol-9-yl-9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-phenylfluoren-2-amine
CID 58390132
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 129222113
20-carbazol-9-yl-24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;N-(9,9-dimethylfluoren-2-yl)-N,24-dinaphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine;N,N-diphenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine;24-naphthalen-2-yl-N,N-bis(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine
CID 158204100
9,9-dimethyl-N-[3-(12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 122578472
3-([1]benzothiolo[2,3-b]carbazol-7-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 135164596

Frequently Asked Questions

What is the IUPAC name of N-[4-(15,15-dimethyl-25-thia-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-11-yl)phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-(15,15-dimethyl-25-thia-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-11-yl)phenyl]-N-phenylnaphthalen-2-amine (CID 90270223) is N-[4-(15,15-dimethyl-25-thia-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-11-yl)phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-(15,15-dimethyl-25-thia-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-11-yl)phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-(15,15-dimethyl-25-thia-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-11-yl)phenyl]-N-phenylnaphthalen-2-amine is CC1(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2-n2c3ccccc3c3c4sc5ccccc5c4cc1c32.
What is the InChIKey of N-[4-(15,15-dimethyl-25-thia-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-11-yl)phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is KXCULZIBEJYJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2S/c1-49(2)41-27-23-34(32-20-24-36(25-21-32)50(35-14-4-3-5-15-35)37-26-22-31-12-6-7-13-33(31)28-37)29-44(41)51-43-18-10-8-17-39(43)46-47(51)42(49)30-40-38-16-9-11-19-45(38)52-48(40)46/h3-30H,1-2H3.
What are the key properties of N-[4-(15,15-dimethyl-25-thia-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-11-yl)phenyl]-N-phenylnaphthalen-2-amine?
N-[4-(15,15-dimethyl-25-thia-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-11-yl)phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 682.89 g/mol, XLogP of 14.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(15,15-dimethyl-25-thia-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-11-yl)phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 90270223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).