17-(7,8-dihydronaphthalen-2-yl)-8-(4-phenylphenyl)-8,17-diazahexacyclo[14.7.0.02,9.03,7.010,15.018,23]tricosa-1(16),2(9),3(7),5,10,12,14,18(23),21-nonaene

C43H32N2 — CID 166864659

IUPAC17-(7,8-dihydronaphthalen-2-yl)-8-(4-phenylphenyl)-8,17-diazahexacyclo[14.7.0.02,9.03,7.010,15.018,23]tricosa-1(16),2(9),3(7),5,10,12,14,18(23),21-nonaene
SMILESC1=Cc2ccc(-n3c4c(c5c6c7c(n(-c8ccc(-c9ccccc9)cc8)c6c6ccccc6c53)C=CC7)C=CCC4)cc2CC1
InChIInChI=1S/C43H32N2/c1-2-11-28(12-3-1)30-21-24-32(25-22-30)44-39-20-10-18-37(39)41-40-36-17-8-9-19-38(36)45(33-26-23-29-13-4-5-14-31(29)27-33)43(40)35-16-7-6-15-34(35)42(41)44/h1-4,6-8,10-13,15-17,20-27H,5,9,14,18-19H2
InChIKeyFIBUSWFEXQHIAE-UHFFFAOYSA-N
MW576.74 g/mol
LogP10.88
Rot. Bonds3

About 17-(7,8-dihydronaphthalen-2-yl)-8-(4-phenylphenyl)-8,17-diazahexacyclo[14.7.0.02,9.03,7.010,15.018,23]tricosa-1(16),2(9),3(7),5,10,12,14,18(23),21-nonaene

17-(7,8-dihydronaphthalen-2-yl)-8-(4-phenylphenyl)-8,17-diazahexacyclo[14.7.0.02,9.03,7.010,15.018,23]tricosa-1(16),2(9),3(7),5,10,12,14,18(23),21-nonaene (PubChem CID 166864659) has the molecular formula C43H32N2 and a molecular weight of 576.74 g/mol. Its IUPAC name is 17-(7,8-dihydronaphthalen-2-yl)-8-(4-phenylphenyl)-8,17-diazahexacyclo[14.7.0.02,9.03,7.010,15.018,23]tricosa-1(16),2(9),3(7),5,10,12,14,18(23),21-nonaene.

Molecular Properties

Compound Name17-(7,8-dihydronaphthalen-2-yl)-8-(4-phenylphenyl)-8,17-diazahexacyclo[14.7.0.02,9.03,7.010,15.018,23]tricosa-1(16),2(9),3(7),5,10,12,14,18(23),21-nonaene
PubChem CID166864659
Molecular FormulaC43H32N2
Molecular Weight576.74 g/mol
Exact Mass576.26
IUPAC Name17-(7,8-dihydronaphthalen-2-yl)-8-(4-phenylphenyl)-8,17-diazahexacyclo[14.7.0.02,9.03,7.010,15.018,23]tricosa-1(16),2(9),3(7),5,10,12,14,18(23),21-nonaene
SMILESC1=Cc2ccc(-n3c4c(c5c6c7c(n(-c8ccc(-c9ccccc9)cc8)c6c6ccccc6c53)C=CC7)C=CCC4)cc2CC1
InChIInChI=1S/C43H32N2/c1-2-11-28(12-3-1)30-21-24-32(25-22-30)44-39-20-10-18-37(39)41-40-36-17-8-9-19-38(36)45(33-26-23-29-13-4-5-14-31(29)27-33)43(40)35-16-7-6-15-34(35)42(41)44/h1-4,6-8,10-13,15-17,20-27H,5,9,14,18-19H2
InChIKeyFIBUSWFEXQHIAE-UHFFFAOYSA-N
XLogP10.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 17-(7,8-dihydronaphthalen-2-yl)-8-(4-phenylphenyl)-8,17-diazahexacyclo[14.7.0.02,9.03,7.010,15.018,23]tricosa-1(16),2(9),3(7),5,10,12,14,18(23),21-nonaene with MolForge

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Related Compounds

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CID 130184110
5-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
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12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole
CID 170205976
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole
CID 169037269
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
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CID 145032212
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole
CID 144920025
11-phenyl-12-[3-[3-(12-phenyl-7,8-dihydroindolo[2,3-a]carbazol-11-yl)-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
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Frequently Asked Questions

What is the IUPAC name of 17-(7,8-dihydronaphthalen-2-yl)-8-(4-phenylphenyl)-8,17-diazahexacyclo[14.7.0.02,9.03,7.010,15.018,23]tricosa-1(16),2(9),3(7),5,10,12,14,18(23),21-nonaene?
The IUPAC name of 17-(7,8-dihydronaphthalen-2-yl)-8-(4-phenylphenyl)-8,17-diazahexacyclo[14.7.0.02,9.03,7.010,15.018,23]tricosa-1(16),2(9),3(7),5,10,12,14,18(23),21-nonaene (CID 166864659) is 17-(7,8-dihydronaphthalen-2-yl)-8-(4-phenylphenyl)-8,17-diazahexacyclo[14.7.0.02,9.03,7.010,15.018,23]tricosa-1(16),2(9),3(7),5,10,12,14,18(23),21-nonaene.
What is the SMILES notation for 17-(7,8-dihydronaphthalen-2-yl)-8-(4-phenylphenyl)-8,17-diazahexacyclo[14.7.0.02,9.03,7.010,15.018,23]tricosa-1(16),2(9),3(7),5,10,12,14,18(23),21-nonaene?
The canonical SMILES for 17-(7,8-dihydronaphthalen-2-yl)-8-(4-phenylphenyl)-8,17-diazahexacyclo[14.7.0.02,9.03,7.010,15.018,23]tricosa-1(16),2(9),3(7),5,10,12,14,18(23),21-nonaene is C1=Cc2ccc(-n3c4c(c5c6c7c(n(-c8ccc(-c9ccccc9)cc8)c6c6ccccc6c53)C=CC7)C=CCC4)cc2CC1.
What is the InChIKey of 17-(7,8-dihydronaphthalen-2-yl)-8-(4-phenylphenyl)-8,17-diazahexacyclo[14.7.0.02,9.03,7.010,15.018,23]tricosa-1(16),2(9),3(7),5,10,12,14,18(23),21-nonaene?
The InChIKey is FIBUSWFEXQHIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2/c1-2-11-28(12-3-1)30-21-24-32(25-22-30)44-39-20-10-18-37(39)41-40-36-17-8-9-19-38(36)45(33-26-23-29-13-4-5-14-31(29)27-33)43(40)35-16-7-6-15-34(35)42(41)44/h1-4,6-8,10-13,15-17,20-27H,5,9,14,18-19H2.
What are the key properties of 17-(7,8-dihydronaphthalen-2-yl)-8-(4-phenylphenyl)-8,17-diazahexacyclo[14.7.0.02,9.03,7.010,15.018,23]tricosa-1(16),2(9),3(7),5,10,12,14,18(23),21-nonaene?
17-(7,8-dihydronaphthalen-2-yl)-8-(4-phenylphenyl)-8,17-diazahexacyclo[14.7.0.02,9.03,7.010,15.018,23]tricosa-1(16),2(9),3(7),5,10,12,14,18(23),21-nonaene has a molecular weight of 576.74 g/mol, XLogP of 10.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(7,8-dihydronaphthalen-2-yl)-8-(4-phenylphenyl)-8,17-diazahexacyclo[14.7.0.02,9.03,7.010,15.018,23]tricosa-1(16),2(9),3(7),5,10,12,14,18(23),21-nonaene is sourced from PubChem (CID 166864659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).