4-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-4,23-diazanonacyclo[21.10.1.02,22.03,15.05,14.08,13.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),5(14),6,8,10,12,17,19,24,26,28,30(34),31-pentadecaene

C55H36N4 — CID 148836840

IUPAC4-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-4,23-diazanonacyclo[21.10.1.02,22.03,15.05,14.08,13.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),5(14),6,8,10,12,17,19,24,26,28,30(34),31-pentadecaene
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-n4c5c(c6c7ccccc7ccc64)C4C=CC=CC4c4c-5c5cccc6c7ccccc7n4c56)c4ccccc4n3)cccc21
InChIInChI=1S/C55H36N4/c1-55(2)41-25-10-7-20-37(41)46-40(24-14-26-42(46)55)53-56-43-27-11-8-21-38(43)54(57-53)59-45-30-29-31-15-3-4-16-32(31)47(45)48-34-18-5-6-19-36(34)51-49(52(48)59)39-23-13-22-35-33-17-9-12-28-44(33)58(51)50(35)39/h3-30,34,36H,1-2H3
InChIKeyOUTGWEIBZQLNBF-UHFFFAOYSA-N
MW752.92 g/mol
LogP13.67
Rot. Bonds2

About 4-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-4,23-diazanonacyclo[21.10.1.02,22.03,15.05,14.08,13.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),5(14),6,8,10,12,17,19,24,26,28,30(34),31-pentadecaene

4-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-4,23-diazanonacyclo[21.10.1.02,22.03,15.05,14.08,13.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),5(14),6,8,10,12,17,19,24,26,28,30(34),31-pentadecaene (PubChem CID 148836840) has the molecular formula C55H36N4 and a molecular weight of 752.92 g/mol. Its IUPAC name is 4-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-4,23-diazanonacyclo[21.10.1.02,22.03,15.05,14.08,13.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),5(14),6,8,10,12,17,19,24,26,28,30(34),31-pentadecaene.

Molecular Properties

Compound Name4-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-4,23-diazanonacyclo[21.10.1.02,22.03,15.05,14.08,13.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),5(14),6,8,10,12,17,19,24,26,28,30(34),31-pentadecaene
PubChem CID148836840
Molecular FormulaC55H36N4
Molecular Weight752.92 g/mol
Exact Mass752.29
IUPAC Name4-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-4,23-diazanonacyclo[21.10.1.02,22.03,15.05,14.08,13.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),5(14),6,8,10,12,17,19,24,26,28,30(34),31-pentadecaene
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-n4c5c(c6c7ccccc7ccc64)C4C=CC=CC4c4c-5c5cccc6c7ccccc7n4c56)c4ccccc4n3)cccc21
InChIInChI=1S/C55H36N4/c1-55(2)41-25-10-7-20-37(41)46-40(24-14-26-42(46)55)53-56-43-27-11-8-21-38(43)54(57-53)59-45-30-29-31-15-3-4-16-32(31)47(45)48-34-18-5-6-19-36(34)51-49(52(48)59)39-23-13-22-35-33-17-9-12-28-44(33)58(51)50(35)39/h3-30,34,36H,1-2H3
InChIKeyOUTGWEIBZQLNBF-UHFFFAOYSA-N
XLogP13.67
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-4,23-diazanonacyclo[21.10.1.02,22.03,15.05,14.08,13.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),5(14),6,8,10,12,17,19,24,26,28,30(34),31-pentadecaene with MolForge

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Related Compounds

9-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-3-naphthalen-2-ylcarbazole
CID 126537282
14-[8-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenanthren-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene
CID 164839327
3-(7,7-dimethylbenzo[e]perimidin-2-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 130259561
14-(8,8-dimethyl-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-undecaen-22-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 134510082
N-(9,9-dimethylfluoren-4-yl)-4-(8-phenylbenzo[a]carbazol-11-yl)-N-(4-phenylphenyl)quinazolin-2-amine
CID 146369088
2-(9,9-dimethylfluoren-4-yl)-4-(4-naphthalen-1-ylphenyl)quinazoline
CID 126536581
3-(9,9-dimethylfluoren-4-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene
CID 147491263
21,21-dimethyl-3-naphthalen-1-yl-3-azaheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,19,22,24,26-tridecaene
CID 134510208
14-[4-[4-(9,9-dimethylfluoren-1-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene
CID 163539917
23-(2-naphthalen-1-ylquinazolin-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
CID 130259632
22-(7,7-dimethylbenzo[e]perimidin-2-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597941
9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 122465554

Frequently Asked Questions

What is the IUPAC name of 4-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-4,23-diazanonacyclo[21.10.1.02,22.03,15.05,14.08,13.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),5(14),6,8,10,12,17,19,24,26,28,30(34),31-pentadecaene?
The IUPAC name of 4-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-4,23-diazanonacyclo[21.10.1.02,22.03,15.05,14.08,13.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),5(14),6,8,10,12,17,19,24,26,28,30(34),31-pentadecaene (CID 148836840) is 4-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-4,23-diazanonacyclo[21.10.1.02,22.03,15.05,14.08,13.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),5(14),6,8,10,12,17,19,24,26,28,30(34),31-pentadecaene.
What is the SMILES notation for 4-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-4,23-diazanonacyclo[21.10.1.02,22.03,15.05,14.08,13.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),5(14),6,8,10,12,17,19,24,26,28,30(34),31-pentadecaene?
The canonical SMILES for 4-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-4,23-diazanonacyclo[21.10.1.02,22.03,15.05,14.08,13.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),5(14),6,8,10,12,17,19,24,26,28,30(34),31-pentadecaene is CC1(C)c2ccccc2-c2c(-c3nc(-n4c5c(c6c7ccccc7ccc64)C4C=CC=CC4c4c-5c5cccc6c7ccccc7n4c56)c4ccccc4n3)cccc21.
What is the InChIKey of 4-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-4,23-diazanonacyclo[21.10.1.02,22.03,15.05,14.08,13.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),5(14),6,8,10,12,17,19,24,26,28,30(34),31-pentadecaene?
The InChIKey is OUTGWEIBZQLNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4/c1-55(2)41-25-10-7-20-37(41)46-40(24-14-26-42(46)55)53-56-43-27-11-8-21-38(43)54(57-53)59-45-30-29-31-15-3-4-16-32(31)47(45)48-34-18-5-6-19-36(34)51-49(52(48)59)39-23-13-22-35-33-17-9-12-28-44(33)58(51)50(35)39/h3-30,34,36H,1-2H3.
What are the key properties of 4-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-4,23-diazanonacyclo[21.10.1.02,22.03,15.05,14.08,13.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),5(14),6,8,10,12,17,19,24,26,28,30(34),31-pentadecaene?
4-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-4,23-diazanonacyclo[21.10.1.02,22.03,15.05,14.08,13.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),5(14),6,8,10,12,17,19,24,26,28,30(34),31-pentadecaene has a molecular weight of 752.92 g/mol, XLogP of 13.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-4,23-diazanonacyclo[21.10.1.02,22.03,15.05,14.08,13.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),5(14),6,8,10,12,17,19,24,26,28,30(34),31-pentadecaene is sourced from PubChem (CID 148836840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).