5-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-18-N-(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine

C72H54N2 — CID 122674931

IUPAC5-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-18-N-(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(ccc5c6ccc(N(c7ccc8c(c7)C(C)(C)C7C=CC=CC87)c7ccc8ccccc8c7)cc6c6ccccc6c45)c3)cc21
InChIInChI=1S/C72H54N2/c1-71(2)66-23-13-11-20-59(66)61-37-32-54(43-68(61)71)73(50-28-25-45-15-5-7-17-47(45)39-50)52-30-35-56-49(41-52)27-34-64-58-36-31-53(42-65(58)57-19-9-10-22-63(57)70(56)64)74(51-29-26-46-16-6-8-18-48(46)40-51)55-33-38-62-60-21-12-14-24-67(60)72(3,4)69(62)44-55/h5-44,60,67H,1-4H3
InChIKeyLMIBVUWQWJKTHL-UHFFFAOYSA-N
MW947.24 g/mol
LogP19.97
Rot. Bonds6

About 5-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-18-N-(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine

5-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-18-N-(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine (PubChem CID 122674931) has the molecular formula C72H54N2 and a molecular weight of 947.24 g/mol. Its IUPAC name is 5-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-18-N-(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine.

Molecular Properties

Compound Name5-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-18-N-(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
PubChem CID122674931
Molecular FormulaC72H54N2
Molecular Weight947.24 g/mol
Exact Mass946.43
IUPAC Name5-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-18-N-(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(ccc5c6ccc(N(c7ccc8c(c7)C(C)(C)C7C=CC=CC87)c7ccc8ccccc8c7)cc6c6ccccc6c45)c3)cc21
InChIInChI=1S/C72H54N2/c1-71(2)66-23-13-11-20-59(66)61-37-32-54(43-68(61)71)73(50-28-25-45-15-5-7-17-47(45)39-50)52-30-35-56-49(41-52)27-34-64-58-36-31-53(42-65(58)57-19-9-10-22-63(57)70(56)64)74(51-29-26-46-16-6-8-18-48(46)40-51)55-33-38-62-60-21-12-14-24-67(60)72(3,4)69(62)44-55/h5-44,60,67H,1-4H3
InChIKeyLMIBVUWQWJKTHL-UHFFFAOYSA-N
XLogP19.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.24
LogP ≤ 519.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-18-N-(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine 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

2-N-[4-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-6-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 89152127
5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 121476605
N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine
CID 170139827
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)fluoren-2-amine
CID 153201298
8,8-dimethyl-5-N,16-N-dinaphthalen-2-yl-5-N,16-N-di(phenanthren-3-yl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633447
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170675874
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 142481358
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 176588375
N-(9,9-dimethylfluoren-2-yl)-N-(3-naphthalen-2-ylphenyl)benzo[c]phenanthren-2-amine
CID 167182297
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine
CID 170139798
N-(9,9-dimethylfluoren-2-yl)-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaen-10-amine
CID 167087586
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

Frequently Asked Questions

What is the IUPAC name of 5-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-18-N-(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine?
The IUPAC name of 5-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-18-N-(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine (CID 122674931) is 5-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-18-N-(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine.
What is the SMILES notation for 5-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-18-N-(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine?
The canonical SMILES for 5-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-18-N-(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(ccc5c6ccc(N(c7ccc8c(c7)C(C)(C)C7C=CC=CC87)c7ccc8ccccc8c7)cc6c6ccccc6c45)c3)cc21.
What is the InChIKey of 5-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-18-N-(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine?
The InChIKey is LMIBVUWQWJKTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N2/c1-71(2)66-23-13-11-20-59(66)61-37-32-54(43-68(61)71)73(50-28-25-45-15-5-7-17-47(45)39-50)52-30-35-56-49(41-52)27-34-64-58-36-31-53(42-65(58)57-19-9-10-22-63(57)70(56)64)74(51-29-26-46-16-6-8-18-48(46)40-51)55-33-38-62-60-21-12-14-24-67(60)72(3,4)69(62)44-55/h5-44,60,67H,1-4H3.
What are the key properties of 5-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-18-N-(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine?
5-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-18-N-(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine has a molecular weight of 947.24 g/mol, XLogP of 19.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-18-N-(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine is sourced from PubChem (CID 122674931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).