N-(9,9-dimethylfluoren-3-yl)-26,26-dinaphthalen-2-yl-N-(3-phenylphenyl)-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-amine

C72H48N2 — CID 169023114

IUPACN-(9,9-dimethylfluoren-3-yl)-26,26-dinaphthalen-2-yl-N-(3-phenylphenyl)-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-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)c3ccc5c6c3n4-c3ccccc3-c3cccc(c3-6)C5(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc21
InChIInChI=1S/C72H48N2/c1-71(2)62-27-12-10-24-56(62)60-43-54(34-37-63(60)71)73(53-23-14-22-50(42-53)45-16-4-3-5-17-45)55-35-39-67-61(44-55)59-36-38-65-69-68-58(57-25-11-13-29-66(57)74(67)70(59)69)26-15-28-64(68)72(65,51-32-30-46-18-6-8-20-48(46)40-51)52-33-31-47-19-7-9-21-49(47)41-52/h3-44H,1-2H3
InChIKeyDXLCKXOVPLQPGH-UHFFFAOYSA-N
MW941.19 g/mol
LogP18.88
Rot. Bonds6

About N-(9,9-dimethylfluoren-3-yl)-26,26-dinaphthalen-2-yl-N-(3-phenylphenyl)-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-amine

N-(9,9-dimethylfluoren-3-yl)-26,26-dinaphthalen-2-yl-N-(3-phenylphenyl)-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-amine (PubChem CID 169023114) has the molecular formula C72H48N2 and a molecular weight of 941.19 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-26,26-dinaphthalen-2-yl-N-(3-phenylphenyl)-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-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-26,26-dinaphthalen-2-yl-N-(3-phenylphenyl)-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-amine
PubChem CID169023114
Molecular FormulaC72H48N2
Molecular Weight941.19 g/mol
Exact Mass940.38
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-26,26-dinaphthalen-2-yl-N-(3-phenylphenyl)-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-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)c3ccc5c6c3n4-c3ccccc3-c3cccc(c3-6)C5(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc21
InChIInChI=1S/C72H48N2/c1-71(2)62-27-12-10-24-56(62)60-43-54(34-37-63(60)71)73(53-23-14-22-50(42-53)45-16-4-3-5-17-45)55-35-39-67-61(44-55)59-36-38-65-69-68-58(57-25-11-13-29-66(57)74(67)70(59)69)26-15-28-64(68)72(65,51-32-30-46-18-6-8-20-48(46)40-51)52-33-31-47-19-7-9-21-49(47)41-52/h3-44H,1-2H3
InChIKeyDXLCKXOVPLQPGH-UHFFFAOYSA-N
XLogP18.88
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.19
LogP ≤ 518.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-3-yl)-26,26-dinaphthalen-2-yl-N-(3-phenylphenyl)-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-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-8-amine
CID 166847861
26-methyl-26-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(3-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-22-amine
CID 167225426
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
CID 166847815
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 166847480
9,9-dimethyl-N-[7-(26-methyl-26-naphthalen-2-yl-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-4-yl)naphthalen-2-yl]-N-(3-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169023056
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
N-[4-[3-[9-(9,9-diphenylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
CID 118462558
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-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;N-[4-(11-naphthalen-1-ylbenzo[a]carbazol-8-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 160984128
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13,13-dimethyl-N-naphthalen-2-yl-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 70893350
9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 170375601
3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 154972891

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-26,26-dinaphthalen-2-yl-N-(3-phenylphenyl)-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-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-26,26-dinaphthalen-2-yl-N-(3-phenylphenyl)-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-amine (CID 169023114) is N-(9,9-dimethylfluoren-3-yl)-26,26-dinaphthalen-2-yl-N-(3-phenylphenyl)-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-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-26,26-dinaphthalen-2-yl-N-(3-phenylphenyl)-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-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-26,26-dinaphthalen-2-yl-N-(3-phenylphenyl)-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-amine is CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)c3ccc5c6c3n4-c3ccccc3-c3cccc(c3-6)C5(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-26,26-dinaphthalen-2-yl-N-(3-phenylphenyl)-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-amine?
The InChIKey is DXLCKXOVPLQPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N2/c1-71(2)62-27-12-10-24-56(62)60-43-54(34-37-63(60)71)73(53-23-14-22-50(42-53)45-16-4-3-5-17-45)55-35-39-67-61(44-55)59-36-38-65-69-68-58(57-25-11-13-29-66(57)74(67)70(59)69)26-15-28-64(68)72(65,51-32-30-46-18-6-8-20-48(46)40-51)52-33-31-47-19-7-9-21-49(47)41-52/h3-44H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-26,26-dinaphthalen-2-yl-N-(3-phenylphenyl)-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-amine?
N-(9,9-dimethylfluoren-3-yl)-26,26-dinaphthalen-2-yl-N-(3-phenylphenyl)-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-amine has a molecular weight of 941.19 g/mol, XLogP of 18.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-26,26-dinaphthalen-2-yl-N-(3-phenylphenyl)-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-amine is sourced from PubChem (CID 169023114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).