N-[8-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

C67H45N3 — CID 169023356

IUPACN-[8-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESCC1(C)c2cccc3c2-c2c1ccc1c4cc(-c5cccc6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc56)ccc4n(c21)-c1ccccc1-3
InChIInChI=1S/C67H45N3/c1-67(2)58-24-14-23-54-52-21-10-12-26-61(52)70-62-38-30-45(39-57(62)55-36-37-59(67)65(64(54)58)66(55)70)50-22-13-17-44-29-33-48(40-56(44)50)68(47-31-27-43(28-32-47)42-15-5-3-6-16-42)49-34-35-53-51-20-9-11-25-60(51)69(63(53)41-49)46-18-7-4-8-19-46/h3-41H,1-2H3
InChIKeyFQOCUCPQZNUXOS-UHFFFAOYSA-N
MW892.12 g/mol
LogP18.12
Rot. Bonds6

About N-[8-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

N-[8-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 169023356) has the molecular formula C67H45N3 and a molecular weight of 892.12 g/mol. Its IUPAC name is N-[8-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-[8-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID169023356
Molecular FormulaC67H45N3
Molecular Weight892.12 g/mol
Exact Mass891.36
IUPAC NameN-[8-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESCC1(C)c2cccc3c2-c2c1ccc1c4cc(-c5cccc6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc56)ccc4n(c21)-c1ccccc1-3
InChIInChI=1S/C67H45N3/c1-67(2)58-24-14-23-54-52-21-10-12-26-61(52)70-62-38-30-45(39-57(62)55-36-37-59(67)65(64(54)58)66(55)70)50-22-13-17-44-29-33-48(40-56(44)50)68(47-31-27-43(28-32-47)42-15-5-3-6-16-42)49-34-35-53-51-20-9-11-25-60(51)69(63(53)41-49)46-18-7-4-8-19-46/h3-41H,1-2H3
InChIKeyFQOCUCPQZNUXOS-UHFFFAOYSA-N
XLogP18.12
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.12
LogP ≤ 518.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[8-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine with MolForge

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Related Compounds

N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 169023136
N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine
CID 169023324
9',9'-dimethyl-11-naphthalen-1-yl-N-phenyl-N-(3-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,10'-anthracene]-5-amine
CID 167225454
9,9-dimethyl-N-[4-[4-[2-(2-naphthalen-1-yl-6-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155038409
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 166847480
26,26-dimethyl-N,N-bis(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine
CID 167224954
N-[3-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 169023208
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 89212856
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 89212871
N-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 137392093
N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine
CID 58161690
N-(15,15-dimethyl-18-heptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16,18,20,22,24-dodecaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 162770145

Frequently Asked Questions

What is the IUPAC name of N-[8-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-[8-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (CID 169023356) is N-[8-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-[8-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-[8-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is CC1(C)c2cccc3c2-c2c1ccc1c4cc(-c5cccc6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc56)ccc4n(c21)-c1ccccc1-3.
What is the InChIKey of N-[8-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is FQOCUCPQZNUXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45N3/c1-67(2)58-24-14-23-54-52-21-10-12-26-61(52)70-62-38-30-45(39-57(62)55-36-37-59(67)65(64(54)58)66(55)70)50-22-13-17-44-29-33-48(40-56(44)50)68(47-31-27-43(28-32-47)42-15-5-3-6-16-42)49-34-35-53-51-20-9-11-25-60(51)69(63(53)41-49)46-18-7-4-8-19-46/h3-41H,1-2H3.
What are the key properties of N-[8-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
N-[8-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine has a molecular weight of 892.12 g/mol, XLogP of 18.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 169023356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).