N-(9,9-dimethylfluoren-3-yl)-N-[2,6-di(propan-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-amine

C52H47N — CID 142362885

IUPACN-(9,9-dimethylfluoren-3-yl)-N-[2,6-di(propan-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-amine
SMILESCC(C)c1cccc(C(C)C)c1N(c1ccc2c(c1)-c1ccccc1C2(C)C)c1ccc2ccc3cc4c(c5ccc1c2c35)-c1ccccc1C4(C)C
InChIInChI=1S/C52H47N/c1-30(2)35-16-13-17-36(31(3)4)50(35)53(34-23-26-44-41(29-34)37-14-9-11-18-42(37)51(44,5)6)46-27-22-32-20-21-33-28-45-49(40-25-24-39(46)47(32)48(33)40)38-15-10-12-19-43(38)52(45,7)8/h9-31H,1-8H3
InChIKeyXECUCJZMCXPOPR-UHFFFAOYSA-N
MW685.96 g/mol
LogP14.91
Rot. Bonds5

About N-(9,9-dimethylfluoren-3-yl)-N-[2,6-di(propan-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-amine

N-(9,9-dimethylfluoren-3-yl)-N-[2,6-di(propan-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-amine (PubChem CID 142362885) has the molecular formula C52H47N and a molecular weight of 685.96 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-[2,6-di(propan-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-N-[2,6-di(propan-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-amine
PubChem CID142362885
Molecular FormulaC52H47N
Molecular Weight685.96 g/mol
Exact Mass685.37
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-N-[2,6-di(propan-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-amine
SMILESCC(C)c1cccc(C(C)C)c1N(c1ccc2c(c1)-c1ccccc1C2(C)C)c1ccc2ccc3cc4c(c5ccc1c2c35)-c1ccccc1C4(C)C
InChIInChI=1S/C52H47N/c1-30(2)35-16-13-17-36(31(3)4)50(35)53(34-23-26-44-41(29-34)37-14-9-11-18-42(37)51(44,5)6)46-27-22-32-20-21-33-28-45-49(40-25-24-39(46)47(32)48(33)40)38-15-10-12-19-43(38)52(45,7)8/h9-31H,1-8H3
InChIKeyXECUCJZMCXPOPR-UHFFFAOYSA-N
XLogP14.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.96
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(9,9-dimethylfluoren-3-yl)-N-[2,6-di(propan-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-amine 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

9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 58219949
1-N,6-N-bis(9,9-dimethylfluoren-3-yl)-1-N,6-N-bis(2,7-dimethylnaphthalen-1-yl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 153440265
N-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine
CID 134432413
17-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-6-amine
CID 58402179
9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine
CID 164774413
N-(9,9-dimethylfluoren-2-yl)-7-[5-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenyl-N-pyren-1-ylbenzo[c]fluoren-5-amine
CID 134432721
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167410938
N-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine
CID 134432412
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 165158535
1-N,1-N,6-N,6-N-tetrakis[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]phenyl]pyrene-1,6-diamine
CID 170258203
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[c]fluoren-4-amine
CID 146364512
1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine
CID 58233584

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-[2,6-di(propan-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-[2,6-di(propan-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-amine (CID 142362885) is N-(9,9-dimethylfluoren-3-yl)-N-[2,6-di(propan-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-[2,6-di(propan-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-[2,6-di(propan-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-amine is CC(C)c1cccc(C(C)C)c1N(c1ccc2c(c1)-c1ccccc1C2(C)C)c1ccc2ccc3cc4c(c5ccc1c2c35)-c1ccccc1C4(C)C.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-[2,6-di(propan-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-amine?
The InChIKey is XECUCJZMCXPOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H47N/c1-30(2)35-16-13-17-36(31(3)4)50(35)53(34-23-26-44-41(29-34)37-14-9-11-18-42(37)51(44,5)6)46-27-22-32-20-21-33-28-45-49(40-25-24-39(46)47(32)48(33)40)38-15-10-12-19-43(38)52(45,7)8/h9-31H,1-8H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-[2,6-di(propan-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-amine?
N-(9,9-dimethylfluoren-3-yl)-N-[2,6-di(propan-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-amine has a molecular weight of 685.96 g/mol, XLogP of 14.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-N-[2,6-di(propan-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-amine is sourced from PubChem (CID 142362885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).