10-tert-butyl-13,13-dimethyl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-amine

C47H39N5 — CID 155773503

IUPAC10-tert-butyl-13,13-dimethyl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-amine
SMILESCC(C)(C)c1cc2c3c(c1)c1cccnc1n3-c1cc(N(c3ccccc3)c3cccc(-n4c5ccccc5c5cccnc54)c3)ccc1C2(C)C
InChIInChI=1S/C47H39N5/c1-46(2,3)30-26-38-37-20-13-25-49-45(37)52-42-29-34(22-23-39(42)47(4,5)40(27-30)43(38)52)50(31-14-7-6-8-15-31)32-16-11-17-33(28-32)51-41-21-10-9-18-35(41)36-19-12-24-48-44(36)51/h6-29H,1-5H3
InChIKeyGOFQCKCCEGYUNW-UHFFFAOYSA-N
MW673.86 g/mol
LogP12.08
Rot. Bonds4

About 10-tert-butyl-13,13-dimethyl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-amine

10-tert-butyl-13,13-dimethyl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-amine (PubChem CID 155773503) has the molecular formula C47H39N5 and a molecular weight of 673.86 g/mol. Its IUPAC name is 10-tert-butyl-13,13-dimethyl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-amine.

Molecular Properties

Compound Name10-tert-butyl-13,13-dimethyl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-amine
PubChem CID155773503
Molecular FormulaC47H39N5
Molecular Weight673.86 g/mol
Exact Mass673.32
IUPAC Name10-tert-butyl-13,13-dimethyl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-amine
SMILESCC(C)(C)c1cc2c3c(c1)c1cccnc1n3-c1cc(N(c3ccccc3)c3cccc(-n4c5ccccc5c5cccnc54)c3)ccc1C2(C)C
InChIInChI=1S/C47H39N5/c1-46(2,3)30-26-38-37-20-13-25-49-45(37)52-42-29-34(22-23-39(42)47(4,5)40(27-30)43(38)52)50(31-14-7-6-8-15-31)32-16-11-17-33(28-32)51-41-21-10-9-18-35(41)36-19-12-24-48-44(36)51/h6-29H,1-5H3
InChIKeyGOFQCKCCEGYUNW-UHFFFAOYSA-N
XLogP12.08
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-tert-butyl-13,13-dimethyl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-amine with MolForge

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Related Compounds

3-carbazol-9-yl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)aniline
CID 140680686
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CID 140754930
N-(4-tert-butylphenyl)-9-phenyl-N-[3-(4,9,16,27-tetratert-butyl-19,19-dimethyl-13,23-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.024,29.013,34]tetratriaconta-2,4,6(34),7(12),8,10,14,16,18(33),20,22(30),24(29),25,27,31-pentadecaen-23-yl)phenyl]carbazol-3-amine
CID 171468851
4-N-(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,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 71036435
CID 157236101
CID 157236101
CID 160693641
CID 160693641
13,13-dimethyl-N,N-diphenyl-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-amine
CID 67325570
5-N,9-N-bis[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 126498124
3-(3,6-ditert-butylcarbazol-9-yl)-N,N-diphenylaniline
CID 175173187
26-tert-butyl-5,5,23,23-tetramethyl-12-(3-phenylphenyl)-12,16,18-triazaheptacyclo[14.11.1.02,15.04,13.06,11.017,22.024,28]octacosa-1(28),2,4(13),6,8,10,14,17(22),18,20,24,26-dodecaene
CID 140755136
N-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine
CID 140754905
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371

Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-13,13-dimethyl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-amine?
The IUPAC name of 10-tert-butyl-13,13-dimethyl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-amine (CID 155773503) is 10-tert-butyl-13,13-dimethyl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-amine.
What is the SMILES notation for 10-tert-butyl-13,13-dimethyl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-amine?
The canonical SMILES for 10-tert-butyl-13,13-dimethyl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-amine is CC(C)(C)c1cc2c3c(c1)c1cccnc1n3-c1cc(N(c3ccccc3)c3cccc(-n4c5ccccc5c5cccnc54)c3)ccc1C2(C)C.
What is the InChIKey of 10-tert-butyl-13,13-dimethyl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-amine?
The InChIKey is GOFQCKCCEGYUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H39N5/c1-46(2,3)30-26-38-37-20-13-25-49-45(37)52-42-29-34(22-23-39(42)47(4,5)40(27-30)43(38)52)50(31-14-7-6-8-15-31)32-16-11-17-33(28-32)51-41-21-10-9-18-35(41)36-19-12-24-48-44(36)51/h6-29H,1-5H3.
What are the key properties of 10-tert-butyl-13,13-dimethyl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-amine?
10-tert-butyl-13,13-dimethyl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-amine has a molecular weight of 673.86 g/mol, XLogP of 12.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butyl-13,13-dimethyl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-amine is sourced from PubChem (CID 155773503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).