9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[24-(4-phenylquinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]fluoren-4-amine

C69H47N5 — CID 142565575

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[24-(4-phenylquinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4c6ccccc6c6cc7ccccc7n6c4n5-c4nc(-c5ccccc5)c5ccccc5n4)cc3)cccc21
InChIInChI=1S/C69H47N5/c1-69(2)57-27-14-12-25-54(57)65-58(69)28-17-31-62(65)72(50-37-32-45(33-38-50)44-18-5-3-6-19-44)51-39-34-46(35-40-51)48-36-41-61-56(42-48)64-53-24-11-10-23-52(53)63-43-49-22-9-16-30-60(49)73(63)67(64)74(61)68-70-59-29-15-13-26-55(59)66(71-68)47-20-7-4-8-21-47/h3-43H,1-2H3
InChIKeyZCDPLHUMSDUPSW-UHFFFAOYSA-N
MW946.17 g/mol
LogP18.06
Rot. Bonds7

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[24-(4-phenylquinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]fluoren-4-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[24-(4-phenylquinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]fluoren-4-amine (PubChem CID 142565575) has the molecular formula C69H47N5 and a molecular weight of 946.17 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[24-(4-phenylquinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]fluoren-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[24-(4-phenylquinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]fluoren-4-amine
PubChem CID142565575
Molecular FormulaC69H47N5
Molecular Weight946.17 g/mol
Exact Mass945.38
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[24-(4-phenylquinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4c6ccccc6c6cc7ccccc7n6c4n5-c4nc(-c5ccccc5)c5ccccc5n4)cc3)cccc21
InChIInChI=1S/C69H47N5/c1-69(2)57-27-14-12-25-54(57)65-58(69)28-17-31-62(65)72(50-37-32-45(33-38-50)44-18-5-3-6-19-44)51-39-34-46(35-40-51)48-36-41-61-56(42-48)64-53-24-11-10-23-52(53)63-43-49-22-9-16-30-60(49)73(63)67(64)74(61)68-70-59-29-15-13-26-55(59)66(71-68)47-20-7-4-8-21-47/h3-43H,1-2H3
InChIKeyZCDPLHUMSDUPSW-UHFFFAOYSA-N
XLogP18.06
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.17
LogP ≤ 518.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[24-(4-phenylquinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]fluoren-4-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N-(4-phenylphenyl)quinazolin-4-amine
CID 142427212
8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510050
9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 166956437
1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 148655486
4-[9-(7,7-dimethylbenzo[e]perimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 149318633
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170543858
5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole
CID 139361929
1-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568512
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 134380599
N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 167222274
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 164807901

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[24-(4-phenylquinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]fluoren-4-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[24-(4-phenylquinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]fluoren-4-amine (CID 142565575) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[24-(4-phenylquinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]fluoren-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[24-(4-phenylquinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]fluoren-4-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[24-(4-phenylquinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4c6ccccc6c6cc7ccccc7n6c4n5-c4nc(-c5ccccc5)c5ccccc5n4)cc3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[24-(4-phenylquinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]fluoren-4-amine?
The InChIKey is ZCDPLHUMSDUPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N5/c1-69(2)57-27-14-12-25-54(57)65-58(69)28-17-31-62(65)72(50-37-32-45(33-38-50)44-18-5-3-6-19-44)51-39-34-46(35-40-51)48-36-41-61-56(42-48)64-53-24-11-10-23-52(53)63-43-49-22-9-16-30-60(49)73(63)67(64)74(61)68-70-59-29-15-13-26-55(59)66(71-68)47-20-7-4-8-21-47/h3-43H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[24-(4-phenylquinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]fluoren-4-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[24-(4-phenylquinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]fluoren-4-amine has a molecular weight of 946.17 g/mol, XLogP of 18.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[24-(4-phenylquinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]fluoren-4-amine is sourced from PubChem (CID 142565575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).