18-[4-(9-phenylfluoren-9-yl)phenyl]-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene

C51H32N2 — CID 134184382

IUPAC18-[4-(9-phenylfluoren-9-yl)phenyl]-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
SMILESc1ccc(C2(c3ccc(-n4c5c6ccccc6ccc5c5c6c7ccccc7[nH]c6c6ccccc6c54)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C51H32N2/c1-2-15-33(16-3-1)51(43-23-11-8-18-37(43)38-19-9-12-24-44(38)51)34-27-29-35(30-28-34)53-49-36-17-5-4-14-32(36)26-31-42(49)47-46-41-22-10-13-25-45(41)52-48(46)39-20-6-7-21-40(39)50(47)53/h1-31,52H
InChIKeyZJDSRQNJDYDMGZ-UHFFFAOYSA-N
MW672.83 g/mol
LogP13.09
Rot. Bonds3

About 18-[4-(9-phenylfluoren-9-yl)phenyl]-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene

18-[4-(9-phenylfluoren-9-yl)phenyl]-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene (PubChem CID 134184382) has the molecular formula C51H32N2 and a molecular weight of 672.83 g/mol. Its IUPAC name is 18-[4-(9-phenylfluoren-9-yl)phenyl]-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene.

Molecular Properties

Compound Name18-[4-(9-phenylfluoren-9-yl)phenyl]-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
PubChem CID134184382
Molecular FormulaC51H32N2
Molecular Weight672.83 g/mol
Exact Mass672.26
IUPAC Name18-[4-(9-phenylfluoren-9-yl)phenyl]-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
SMILESc1ccc(C2(c3ccc(-n4c5c6ccccc6ccc5c5c6c7ccccc7[nH]c6c6ccccc6c54)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C51H32N2/c1-2-15-33(16-3-1)51(43-23-11-8-18-37(43)38-19-9-12-24-44(38)51)34-27-29-35(30-28-34)53-49-36-17-5-4-14-32(36)26-31-42(49)47-46-41-22-10-13-25-45(41)52-48(46)39-20-6-7-21-40(39)50(47)53/h1-31,52H
InChIKeyZJDSRQNJDYDMGZ-UHFFFAOYSA-N
XLogP13.09
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.83
LogP ≤ 513.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 18-[4-(9-phenylfluoren-9-yl)phenyl]-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

18-(4-tert-butylphenyl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 134184183
23,23-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 118545864
24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 146341842
19-(4-phenylphenyl)-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene
CID 135162831
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine
CID 166503673
9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 123987784
28-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene
CID 137427316
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine
CID 168782174
N-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine
CID 166503635
9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine
CID 168781573
CID 134551786
CID 134551786
N-phenyl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine
CID 166503654

Frequently Asked Questions

What is the IUPAC name of 18-[4-(9-phenylfluoren-9-yl)phenyl]-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene?
The IUPAC name of 18-[4-(9-phenylfluoren-9-yl)phenyl]-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene (CID 134184382) is 18-[4-(9-phenylfluoren-9-yl)phenyl]-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene.
What is the SMILES notation for 18-[4-(9-phenylfluoren-9-yl)phenyl]-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene?
The canonical SMILES for 18-[4-(9-phenylfluoren-9-yl)phenyl]-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene is c1ccc(C2(c3ccc(-n4c5c6ccccc6ccc5c5c6c7ccccc7[nH]c6c6ccccc6c54)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 18-[4-(9-phenylfluoren-9-yl)phenyl]-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene?
The InChIKey is ZJDSRQNJDYDMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2/c1-2-15-33(16-3-1)51(43-23-11-8-18-37(43)38-19-9-12-24-44(38)51)34-27-29-35(30-28-34)53-49-36-17-5-4-14-32(36)26-31-42(49)47-46-41-22-10-13-25-45(41)52-48(46)39-20-6-7-21-40(39)50(47)53/h1-31,52H.
What are the key properties of 18-[4-(9-phenylfluoren-9-yl)phenyl]-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene?
18-[4-(9-phenylfluoren-9-yl)phenyl]-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene has a molecular weight of 672.83 g/mol, XLogP of 13.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-[4-(9-phenylfluoren-9-yl)phenyl]-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene is sourced from PubChem (CID 134184382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).